REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kle_1_N DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPDKKHQ XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.639 174.600 0.065 0.000 1.055 3 S CA 0.000 58.231 58.200 0.052 0.000 1.107 3 S CB 0.000 63.226 63.200 0.044 0.000 0.593 4 P HA 0.434 nan 4.420 nan 0.000 0.282 4 P C 1.469 178.816 177.300 0.078 0.000 1.274 4 P CA -0.835 62.315 63.100 0.084 0.000 0.770 4 P CB 0.445 32.200 31.700 0.091 0.000 0.867 5 I N -0.702 119.919 120.570 0.084 0.000 2.381 5 I HA -0.170 4.001 4.170 0.000 0.000 0.255 5 I C 0.741 176.901 176.117 0.072 0.000 1.140 5 I CA 1.368 62.714 61.300 0.077 0.000 1.404 5 I CB -0.513 37.540 38.000 0.087 0.000 1.075 5 I HN 0.332 nan 8.210 nan 0.000 0.433 6 E N 0.064 120.312 120.200 0.081 0.000 2.383 6 E HA 0.275 4.625 4.350 0.000 0.000 0.274 6 E C -1.178 175.478 176.600 0.094 0.000 1.205 6 E CA 0.176 56.623 56.400 0.078 0.000 0.912 6 E CB 1.625 31.369 29.700 0.072 0.000 1.345 6 E HN 0.237 nan 8.360 nan 0.000 0.413 7 T N -2.634 111.977 114.554 0.095 0.000 2.889 7 T HA 0.622 4.972 4.350 0.000 0.000 0.315 7 T C -0.884 173.883 174.700 0.112 0.000 1.291 7 T CA -0.689 61.478 62.100 0.113 0.000 1.028 7 T CB 1.176 70.112 68.868 0.114 0.000 1.235 7 T HN 0.133 nan 8.240 nan 0.000 0.491 8 V N 3.450 123.445 119.914 0.135 0.000 2.370 8 V HA 0.524 4.644 4.120 0.000 0.000 0.279 8 V C -2.022 174.151 176.094 0.131 0.000 1.029 8 V CA -1.897 60.493 62.300 0.149 0.000 0.870 8 V CB 1.108 33.056 31.823 0.209 0.000 0.984 8 V HN 0.851 nan 8.190 nan 0.000 0.451 9 P HA 0.160 nan 4.420 nan 0.000 0.276 9 P C -0.577 176.732 177.300 0.015 0.000 1.235 9 P CA -0.031 63.112 63.100 0.072 0.000 0.772 9 P CB 1.430 33.178 31.700 0.079 0.000 0.871 10 V N 5.087 124.907 119.914 -0.157 0.000 2.247 10 V HA 0.115 4.236 4.120 0.000 0.000 0.262 10 V C 0.909 176.886 176.094 -0.194 0.000 1.096 10 V CA -0.533 61.444 62.300 -0.538 0.000 0.895 10 V CB -0.323 30.708 31.823 -1.321 0.000 1.141 10 V HN 0.454 nan 8.190 nan 0.000 0.478 11 K N 3.492 123.869 120.400 -0.039 0.000 2.453 11 K HA 0.162 4.483 4.320 0.000 0.000 0.280 11 K C -0.327 176.267 176.600 -0.010 0.000 1.045 11 K CA -0.319 55.980 56.287 0.020 0.000 1.059 11 K CB 0.643 33.177 32.500 0.057 0.000 0.901 11 K HN 0.306 nan 8.250 nan 0.000 0.475 12 L N 3.333 124.546 121.223 -0.016 0.000 2.375 12 L HA 0.143 4.483 4.340 0.000 0.000 0.271 12 L C -0.014 176.843 176.870 -0.021 0.000 1.107 12 L CA 0.004 54.807 54.840 -0.061 0.000 0.806 12 L CB 0.787 42.757 42.059 -0.148 0.000 1.146 12 L HN 0.429 nan 8.230 nan 0.000 0.447 13 K N 4.578 124.963 120.400 -0.025 0.000 2.436 13 K HA 0.130 4.450 4.320 0.000 0.000 0.275 13 K C -2.196 174.404 176.600 0.000 0.000 0.999 13 K CA -1.217 55.062 56.287 -0.012 0.000 0.980 13 K CB -0.036 32.451 32.500 -0.022 0.000 0.919 13 K HN 0.477 nan 8.250 nan 0.000 0.484 14 P HA -0.076 nan 4.420 nan 0.000 0.265 14 P C 0.291 177.602 177.300 0.019 0.000 1.187 14 P CA 0.638 63.748 63.100 0.016 0.000 0.766 14 P CB 0.469 32.177 31.700 0.013 0.000 0.820 15 G N 1.626 110.443 108.800 0.028 0.000 2.225 15 G HA2 -0.247 3.713 3.960 0.000 0.000 0.267 15 G HA3 -0.247 3.713 3.960 0.000 0.000 0.267 15 G C 0.014 174.936 174.900 0.036 0.000 1.024 15 G CA -0.214 44.905 45.100 0.032 0.000 0.784 15 G HN 0.403 nan 8.290 nan 0.000 0.507 16 M N 0.479 120.101 119.600 0.036 0.000 2.167 16 M HA 0.415 4.895 4.480 0.000 0.000 0.333 16 M C -0.451 175.885 176.300 0.061 0.000 1.030 16 M CA -0.965 54.355 55.300 0.034 0.000 0.963 16 M CB 1.435 34.037 32.600 0.002 0.000 1.589 16 M HN 0.233 nan 8.290 nan 0.000 0.431 17 D N 1.695 122.151 120.400 0.092 0.000 2.181 17 D HA 0.615 5.255 4.640 0.000 0.000 0.248 17 D C 0.557 176.961 176.300 0.173 0.000 1.020 17 D CA 0.018 54.122 54.000 0.174 0.000 0.891 17 D CB 1.495 42.402 40.800 0.178 0.000 1.187 17 D HN 0.706 nan 8.370 nan 0.000 0.443 18 G N 1.668 110.626 108.800 0.263 0.000 2.647 18 G HA2 0.267 4.228 3.960 0.000 0.000 0.271 18 G HA3 0.267 4.228 3.960 0.000 0.000 0.271 18 G C -2.193 172.867 174.900 0.266 0.000 1.300 18 G CA -0.747 44.403 45.100 0.082 0.000 0.997 18 G HN 0.527 nan 8.290 nan 0.000 0.533 19 P HA 0.364 nan 4.420 nan 0.000 0.286 19 P C -1.324 176.151 177.300 0.292 0.000 1.261 19 P CA -0.456 62.787 63.100 0.238 0.000 0.821 19 P CB 1.563 33.380 31.700 0.194 0.000 1.013 20 K N 1.592 122.112 120.400 0.200 0.000 2.814 20 K HA 0.403 4.723 4.320 0.000 0.000 0.205 20 K C -1.111 175.559 176.600 0.117 0.000 1.093 20 K CA -0.526 55.848 56.287 0.146 0.000 1.035 20 K CB 1.498 34.059 32.500 0.101 0.000 1.220 20 K HN 0.163 nan 8.250 nan 0.000 0.576 21 V N 2.436 122.423 119.914 0.120 0.000 2.459 21 V HA 0.264 4.384 4.120 0.000 0.000 0.295 21 V C 0.113 176.268 176.094 0.101 0.000 1.029 21 V CA -0.925 61.451 62.300 0.127 0.000 0.874 21 V CB 1.689 33.606 31.823 0.158 0.000 0.985 21 V HN 0.491 nan 8.190 nan 0.000 0.438 22 K N 2.410 122.876 120.400 0.111 0.000 2.319 22 K HA 0.221 4.541 4.320 0.000 0.000 0.265 22 K C -0.032 176.618 176.600 0.083 0.000 1.000 22 K CA -0.290 56.047 56.287 0.083 0.000 0.943 22 K CB 0.513 33.066 32.500 0.090 0.000 0.950 22 K HN 0.616 nan 8.250 nan 0.000 0.485 23 Q N 3.047 122.849 119.800 0.004 0.000 2.286 23 Q HA 0.070 4.410 4.340 0.000 0.000 0.257 23 Q C -1.295 174.704 176.000 -0.000 0.000 0.941 23 Q CA -0.281 55.453 55.803 -0.113 0.000 0.912 23 Q CB 0.600 29.265 28.738 -0.121 0.000 1.192 23 Q HN 0.397 nan 8.270 nan 0.000 0.410 24 W N 4.915 126.200 121.300 -0.026 0.000 2.338 24 W HA 0.417 5.077 4.660 0.000 0.000 0.307 24 W C -2.275 174.192 176.519 -0.086 0.000 1.167 24 W CA -2.775 54.529 57.345 -0.068 0.000 1.208 24 W CB -0.381 29.013 29.460 -0.111 0.000 1.228 24 W HN 0.566 nan 8.180 nan 0.000 0.499 25 P HA -0.056 nan 4.420 nan 0.000 0.259 25 P C -0.193 177.130 177.300 0.038 0.000 1.163 25 P CA 0.828 63.953 63.100 0.041 0.000 0.760 25 P CB 0.925 32.632 31.700 0.012 0.000 0.762 26 L N 2.760 123.982 121.223 -0.003 0.000 2.365 26 L HA 0.465 4.805 4.340 0.000 0.000 0.267 26 L C 1.497 178.343 176.870 -0.039 0.000 1.033 26 L CA -0.884 53.948 54.840 -0.014 0.000 0.802 26 L CB 1.101 43.137 42.059 -0.038 0.000 1.267 26 L HN 0.343 nan 8.230 nan 0.000 0.457 27 T N -3.245 111.279 114.554 -0.051 0.000 2.788 27 T HA 0.095 4.446 4.350 0.000 0.000 0.280 27 T C 0.807 175.459 174.700 -0.079 0.000 0.984 27 T CA -0.518 61.549 62.100 -0.054 0.000 0.972 27 T CB 1.459 70.304 68.868 -0.038 0.000 1.039 27 T HN 0.672 nan 8.240 nan 0.000 0.530 28 E N 1.094 121.258 120.200 -0.060 0.000 2.035 28 E HA -0.284 4.067 4.350 0.000 0.000 0.204 28 E C 2.086 178.618 176.600 -0.112 0.000 1.025 28 E CA 2.462 58.822 56.400 -0.066 0.000 0.835 28 E CB -0.387 29.292 29.700 -0.036 0.000 0.764 28 E HN 0.889 nan 8.360 nan 0.000 0.457 29 E N 0.089 120.210 120.200 -0.130 0.000 2.028 29 E HA -0.229 4.121 4.350 0.000 0.000 0.191 29 E C 2.121 178.430 176.600 -0.484 0.000 0.988 29 E CA 0.967 57.223 56.400 -0.240 0.000 0.799 29 E CB -0.346 29.270 29.700 -0.140 0.000 0.755 29 E HN 0.046 nan 8.360 nan 0.000 0.447 30 K N 0.628 120.739 120.400 -0.482 0.000 2.052 30 K HA -0.177 4.143 4.320 0.000 0.000 0.215 30 K C 2.256 178.646 176.600 -0.350 0.000 1.053 30 K CA 1.385 57.362 56.287 -0.518 0.000 0.934 30 K CB -0.401 31.957 32.500 -0.238 0.000 0.717 30 K HN 0.291 nan 8.250 nan 0.000 0.450 31 I N 1.421 121.861 120.570 -0.216 0.000 2.113 31 I HA -0.272 3.898 4.170 0.000 0.000 0.238 31 I C 2.314 178.339 176.117 -0.152 0.000 1.070 31 I CA 1.296 62.511 61.300 -0.143 0.000 1.332 31 I CB -0.975 36.968 38.000 -0.094 0.000 1.044 31 I HN 0.226 nan 8.210 nan 0.000 0.402 32 K N 0.886 121.190 120.400 -0.161 0.000 2.013 32 K HA -0.280 4.041 4.320 0.000 0.000 0.225 32 K C 2.161 178.668 176.600 -0.154 0.000 1.056 32 K CA 2.442 58.648 56.287 -0.134 0.000 0.971 32 K CB -0.467 31.956 32.500 -0.127 0.000 0.731 32 K HN 0.373 nan 8.250 nan 0.000 0.450 33 A N 1.070 123.724 122.820 -0.276 0.000 1.948 33 A HA -0.205 4.115 4.320 0.000 0.000 0.220 33 A C 2.168 179.662 177.584 -0.150 0.000 1.177 33 A CA 1.586 53.466 52.037 -0.261 0.000 0.636 33 A CB -0.640 17.960 19.000 -0.667 0.000 0.815 33 A HN 0.346 nan 8.150 nan 0.000 0.449 34 L N -0.382 120.739 121.223 -0.169 0.000 2.093 34 L HA -0.124 4.217 4.340 0.000 0.000 0.208 34 L C 2.386 179.238 176.870 -0.030 0.000 1.085 34 L CA 1.117 55.908 54.840 -0.081 0.000 0.755 34 L CB -0.097 41.920 42.059 -0.071 0.000 0.904 34 L HN 0.255 nan 8.230 nan 0.000 0.435 35 V N -0.464 119.432 119.914 -0.031 0.000 2.427 35 V HA -0.279 3.841 4.120 0.000 0.000 0.248 35 V C 2.353 178.439 176.094 -0.014 0.000 1.051 35 V CA 2.006 64.309 62.300 0.006 0.000 1.048 35 V CB -0.650 31.171 31.823 -0.003 0.000 0.666 35 V HN 0.564 nan 8.190 nan 0.000 0.456 36 E N 0.542 120.723 120.200 -0.032 0.000 2.015 36 E HA -0.206 4.144 4.350 0.000 0.000 0.191 36 E C 2.301 178.875 176.600 -0.044 0.000 0.991 36 E CA 1.594 57.977 56.400 -0.029 0.000 0.802 36 E CB -0.088 29.602 29.700 -0.017 0.000 0.759 36 E HN 0.407 nan 8.360 nan 0.000 0.447 37 I N 1.443 121.988 120.570 -0.042 0.000 2.185 37 I HA -0.331 3.839 4.170 0.000 0.000 0.246 37 I C 2.612 178.656 176.117 -0.122 0.000 1.088 37 I CA 0.999 62.264 61.300 -0.058 0.000 1.347 37 I CB -1.460 36.517 38.000 -0.037 0.000 1.041 37 I HN 0.410 nan 8.210 nan 0.000 0.415 38 C N 0.721 119.938 119.300 -0.139 0.000 2.450 38 C HA -0.111 4.349 4.460 0.000 0.000 0.279 38 C C 3.045 177.851 174.990 -0.307 0.000 1.335 38 C CA 1.421 60.260 59.018 -0.298 0.000 1.749 38 C CB -1.071 26.468 27.740 -0.335 0.000 1.963 38 C HN 0.663 nan 8.230 nan 0.000 0.501 39 T N -0.576 113.892 114.554 -0.144 0.000 2.708 39 T HA -0.161 4.189 4.350 0.000 0.000 0.266 39 T C 1.560 176.197 174.700 -0.106 0.000 1.037 39 T CA 1.455 63.502 62.100 -0.088 0.000 1.146 39 T CB -0.297 68.551 68.868 -0.034 0.000 0.865 39 T HN 0.432 nan 8.240 nan 0.000 0.435 40 E N 1.486 121.624 120.200 -0.105 0.000 2.017 40 E HA -0.013 4.338 4.350 0.000 0.000 0.193 40 E C 2.370 178.885 176.600 -0.142 0.000 0.997 40 E CA 1.185 57.524 56.400 -0.100 0.000 0.804 40 E CB -0.575 29.075 29.700 -0.084 0.000 0.757 40 E HN 0.581 nan 8.360 nan 0.000 0.448 41 M N 0.499 119.981 119.600 -0.197 0.000 2.143 41 M HA -0.230 4.251 4.480 0.000 0.000 0.258 41 M C 2.285 178.450 176.300 -0.225 0.000 1.071 41 M CA 1.618 56.766 55.300 -0.253 0.000 1.088 41 M CB -0.411 31.988 32.600 -0.335 0.000 1.360 41 M HN 0.124 nan 8.290 nan 0.000 0.404 42 E N 0.597 120.662 120.200 -0.225 0.000 2.208 42 E HA -0.176 4.174 4.350 0.000 0.000 0.193 42 E C 1.956 178.505 176.600 -0.084 0.000 0.988 42 E CA 0.929 57.235 56.400 -0.157 0.000 0.828 42 E CB 0.164 29.782 29.700 -0.136 0.000 0.763 42 E HN 0.434 nan 8.360 nan 0.000 0.478 43 K N 0.581 120.931 120.400 -0.083 0.000 2.044 43 K HA -0.078 4.242 4.320 0.000 0.000 0.204 43 K C 1.430 178.000 176.600 -0.051 0.000 1.049 43 K CA 1.199 57.454 56.287 -0.053 0.000 0.945 43 K CB 0.175 32.646 32.500 -0.049 0.000 0.724 43 K HN 0.041 nan 8.250 nan 0.000 0.440 44 E N -0.394 119.763 120.200 -0.071 0.000 2.505 44 E HA 0.007 4.357 4.350 0.000 0.000 0.197 44 E C 0.509 177.077 176.600 -0.053 0.000 1.111 44 E CA 0.358 56.721 56.400 -0.062 0.000 0.887 44 E CB 0.095 29.741 29.700 -0.089 0.000 0.913 44 E HN 0.579 nan 8.360 nan 0.000 0.517 45 G N 1.743 110.512 108.800 -0.051 0.000 2.187 45 G HA2 -0.365 3.595 3.960 0.000 0.000 0.261 45 G HA3 -0.365 3.595 3.960 0.000 0.000 0.261 45 G C 1.039 175.919 174.900 -0.033 0.000 1.000 45 G CA 0.802 45.883 45.100 -0.031 0.000 0.718 45 G HN 0.179 nan 8.290 nan 0.000 0.519 46 K N -0.314 120.036 120.400 -0.083 0.000 2.025 46 K HA 0.092 4.412 4.320 0.000 0.000 0.207 46 K C 1.743 178.289 176.600 -0.090 0.000 1.049 46 K CA 1.727 57.962 56.287 -0.086 0.000 0.933 46 K CB -0.132 32.240 32.500 -0.212 0.000 0.714 46 K HN 0.880 nan 8.250 nan 0.000 0.438 47 I N -2.733 117.738 120.570 -0.165 0.000 3.002 47 I HA 0.417 4.587 4.170 0.000 0.000 0.310 47 I C -0.747 175.344 176.117 -0.043 0.000 1.087 47 I CA -0.902 60.317 61.300 -0.135 0.000 1.017 47 I CB 2.468 40.302 38.000 -0.277 0.000 1.226 47 I HN -0.284 nan 8.210 nan 0.000 0.443 48 S N 1.279 117.000 115.700 0.035 0.000 2.569 48 S HA 0.463 4.934 4.470 0.000 0.000 0.280 48 S C -0.890 173.773 174.600 0.104 0.000 1.111 48 S CA -0.955 57.283 58.200 0.064 0.000 0.887 48 S CB 1.958 65.176 63.200 0.030 0.000 1.095 48 S HN 0.506 nan 8.310 nan 0.000 0.476 49 K N 1.972 122.414 120.400 0.070 0.000 2.298 49 K HA 0.456 4.776 4.320 0.000 0.000 0.280 49 K C -0.144 176.395 176.600 -0.103 0.000 1.032 49 K CA -0.040 56.203 56.287 -0.074 0.000 0.958 49 K CB 0.254 32.678 32.500 -0.126 0.000 0.978 49 K HN 0.556 nan 8.250 nan 0.000 0.472 50 I N -1.694 118.776 120.570 -0.165 0.000 3.067 50 I HA 0.643 4.813 4.170 0.000 0.000 0.312 50 I C 0.365 176.393 176.117 -0.149 0.000 1.073 50 I CA -1.148 60.075 61.300 -0.128 0.000 1.016 50 I CB 1.858 39.793 38.000 -0.109 0.000 1.227 50 I HN 0.559 nan 8.210 nan 0.000 0.456 51 G N 0.590 109.321 108.800 -0.115 0.000 2.857 51 G HA2 0.589 4.549 3.960 0.000 0.000 0.217 51 G HA3 0.589 4.549 3.960 0.000 0.000 0.217 51 G C -2.181 172.654 174.900 -0.109 0.000 1.357 51 G CA -0.929 44.103 45.100 -0.112 0.000 1.033 51 G HN 0.578 nan 8.290 nan 0.000 0.571 52 P HA 0.098 nan 4.420 nan 0.000 0.261 52 P C 1.028 178.272 177.300 -0.094 0.000 1.268 52 P CA 0.379 63.422 63.100 -0.095 0.000 0.833 52 P CB 0.628 32.277 31.700 -0.086 0.000 1.231 53 E N -0.021 120.127 120.200 -0.086 0.000 2.268 53 E HA -0.115 4.235 4.350 0.000 0.000 0.195 53 E C 0.557 177.095 176.600 -0.103 0.000 0.995 53 E CA 0.536 56.886 56.400 -0.084 0.000 0.836 53 E CB -1.033 28.627 29.700 -0.067 0.000 0.763 53 E HN 0.140 nan 8.360 nan 0.000 0.491 54 N N 2.748 121.387 118.700 -0.103 0.000 2.411 54 N HA 0.041 4.781 4.740 0.000 0.000 0.259 54 N C -1.686 173.711 175.510 -0.188 0.000 1.103 54 N CA -1.607 51.377 53.050 -0.109 0.000 0.954 54 N CB 1.348 39.801 38.487 -0.057 0.000 1.085 54 N HN -0.060 nan 8.380 nan 0.000 0.485 55 P HA 0.065 nan 4.420 nan 0.000 0.255 55 P C -0.745 176.231 177.300 -0.540 0.000 1.248 55 P CA 0.284 63.089 63.100 -0.492 0.000 0.807 55 P CB 0.041 31.379 31.700 -0.603 0.000 1.150 56 Y N 0.344 120.621 120.300 -0.039 0.000 2.488 56 Y HA 0.600 5.150 4.550 0.000 0.000 0.325 56 Y C 0.793 176.699 175.900 0.009 0.000 1.204 56 Y CA -0.768 57.331 58.100 -0.001 0.000 1.229 56 Y CB 0.927 39.387 38.460 -0.001 0.000 1.274 56 Y HN -0.172 nan 8.280 nan 0.000 0.493 57 N N -1.312 117.520 118.700 0.221 0.000 2.859 57 N HA 0.660 5.401 4.740 0.000 0.000 0.250 57 N C -1.975 173.616 175.510 0.135 0.000 1.341 57 N CA -0.565 52.568 53.050 0.140 0.000 0.881 57 N CB 2.098 40.627 38.487 0.071 0.000 1.516 57 N HN 0.605 nan 8.380 nan 0.000 0.503 58 T N 1.367 115.973 114.554 0.086 0.000 2.982 58 T HA 0.508 4.858 4.350 0.000 0.000 0.321 58 T C -2.975 171.692 174.700 -0.055 0.000 1.229 58 T CA -0.704 61.403 62.100 0.012 0.000 1.044 58 T CB 2.284 71.082 68.868 -0.117 0.000 1.184 58 T HN 0.330 nan 8.240 nan 0.000 0.477 59 P HA 0.556 nan 4.420 nan 0.000 0.276 59 P C -0.950 176.162 177.300 -0.313 0.000 1.244 59 P CA -0.508 62.394 63.100 -0.330 0.000 0.801 59 P CB 1.057 32.406 31.700 -0.584 0.000 1.006 60 V N -1.531 118.150 119.914 -0.387 0.000 3.114 60 V HA 0.885 5.005 4.120 0.000 0.000 0.308 60 V C -0.814 175.219 176.094 -0.100 0.000 1.168 60 V CA -0.853 61.344 62.300 -0.172 0.000 1.015 60 V CB 1.701 33.434 31.823 -0.151 0.000 1.050 60 V HN 0.707 nan 8.190 nan 0.000 0.433 61 F N -0.400 119.385 119.950 -0.275 0.000 3.169 61 F HA 1.049 5.576 4.527 0.000 0.000 0.325 61 F C -0.433 175.342 175.800 -0.041 0.000 1.175 61 F CA -0.946 56.949 58.000 -0.175 0.000 0.887 61 F CB 0.562 39.501 39.000 -0.102 0.000 1.457 61 F HN 1.085 nan 8.300 nan 0.000 0.496 62 A N 0.354 123.185 122.820 0.017 0.000 2.437 62 A HA 1.002 5.322 4.320 0.000 0.000 0.288 62 A C -1.054 176.680 177.584 0.249 0.000 1.201 62 A CA -0.422 51.626 52.037 0.018 0.000 0.795 62 A CB 1.819 20.831 19.000 0.019 0.000 1.359 62 A HN 1.658 nan 8.150 nan 0.000 0.435 63 I N -3.406 117.448 120.570 0.473 0.000 2.842 63 I HA 0.539 4.709 4.170 0.000 0.000 0.296 63 I C -1.371 174.777 176.117 0.050 0.000 1.538 63 I CA -0.748 60.783 61.300 0.385 0.000 0.994 63 I CB 2.113 40.218 38.000 0.175 0.000 1.372 63 I HN 0.520 nan 8.210 nan 0.000 0.478 64 K N 3.955 124.193 120.400 -0.269 0.000 2.449 64 K HA 0.451 4.771 4.320 0.000 0.000 0.257 64 K C -0.440 176.013 176.600 -0.246 0.000 0.989 64 K CA -0.754 55.223 56.287 -0.517 0.000 0.916 64 K CB 1.336 33.289 32.500 -0.911 0.000 1.136 64 K HN 0.573 nan 8.250 nan 0.000 0.439 65 K N 1.836 122.122 120.400 -0.189 0.000 2.274 65 K HA -0.126 4.194 4.320 0.000 0.000 0.255 65 K C 1.051 177.577 176.600 -0.123 0.000 1.005 65 K CA 0.259 56.469 56.287 -0.129 0.000 0.864 65 K CB 0.374 32.803 32.500 -0.118 0.000 1.013 65 K HN 0.383 nan 8.250 nan 0.000 0.519 66 K N 1.375 121.720 120.400 -0.091 0.000 1.967 66 K HA -0.151 4.169 4.320 0.000 0.000 0.212 66 K C 0.941 177.493 176.600 -0.081 0.000 1.044 66 K CA 2.062 58.303 56.287 -0.076 0.000 0.942 66 K CB -0.231 32.236 32.500 -0.055 0.000 0.726 66 K HN 0.445 nan 8.250 nan 0.000 0.440 67 D N -0.105 120.245 120.400 -0.082 0.000 2.339 67 D HA 0.117 4.757 4.640 0.000 0.000 0.217 67 D C -0.584 175.662 176.300 -0.090 0.000 1.050 67 D CA 0.215 54.169 54.000 -0.078 0.000 0.856 67 D CB 0.411 41.166 40.800 -0.076 0.000 0.922 67 D HN 0.038 nan 8.370 nan 0.000 0.518 68 S N -0.886 114.748 115.700 -0.109 0.000 2.508 68 S HA 0.325 4.795 4.470 0.000 0.000 0.284 68 S C 0.851 175.352 174.600 -0.164 0.000 1.192 68 S CA -0.510 57.615 58.200 -0.124 0.000 1.070 68 S CB 1.955 65.079 63.200 -0.127 0.000 1.004 68 S HN -0.036 nan 8.310 nan 0.000 0.493 69 T N 2.069 116.529 114.554 -0.156 0.000 3.129 69 T HA 0.199 4.549 4.350 0.000 0.000 0.267 69 T C 0.051 174.612 174.700 -0.232 0.000 1.018 69 T CA -0.118 61.865 62.100 -0.194 0.000 0.903 69 T CB 0.102 68.900 68.868 -0.118 0.000 1.067 69 T HN 0.166 nan 8.240 nan 0.000 0.549 70 K N 0.801 121.077 120.400 -0.207 0.000 2.164 70 K HA 0.353 4.673 4.320 0.000 0.000 0.258 70 K C -0.985 175.506 176.600 -0.182 0.000 0.951 70 K CA -0.669 55.535 56.287 -0.138 0.000 0.844 70 K CB 1.414 33.888 32.500 -0.044 0.000 1.099 70 K HN 0.253 nan 8.250 nan 0.000 0.435 71 W N 2.374 123.667 121.300 -0.012 0.000 2.311 71 W HA 0.260 4.920 4.660 0.000 0.000 0.310 71 W C 0.969 177.472 176.519 -0.026 0.000 1.274 71 W CA -0.304 57.030 57.345 -0.017 0.000 1.215 71 W CB 0.658 30.110 29.460 -0.013 0.000 1.227 71 W HN 0.276 nan 8.180 nan 0.000 0.523 72 R N 4.126 124.753 120.500 0.213 0.000 2.445 72 R HA 0.271 4.612 4.340 0.000 0.000 0.308 72 R C -0.112 176.223 176.300 0.058 0.000 0.961 72 R CA -0.867 55.294 56.100 0.102 0.000 0.862 72 R CB 0.918 31.239 30.300 0.035 0.000 1.144 72 R HN 0.450 nan 8.270 nan 0.000 0.447 73 K N 3.827 124.245 120.400 0.031 0.000 2.382 73 K HA 0.119 4.440 4.320 0.000 0.000 0.275 73 K C -1.275 175.258 176.600 -0.111 0.000 1.009 73 K CA -0.298 55.961 56.287 -0.046 0.000 0.970 73 K CB 0.604 33.090 32.500 -0.024 0.000 0.934 73 K HN 0.327 nan 8.250 nan 0.000 0.479 74 L N 5.226 126.287 121.223 -0.270 0.000 2.482 74 L HA 0.332 4.672 4.340 0.000 0.000 0.269 74 L C -1.535 175.163 176.870 -0.285 0.000 0.967 74 L CA -0.598 54.032 54.840 -0.350 0.000 0.851 74 L CB 1.666 43.290 42.059 -0.725 0.000 1.242 74 L HN 0.407 nan 8.230 nan 0.000 0.404 75 V N 3.510 123.334 119.914 -0.149 0.000 2.617 75 V HA 0.378 4.498 4.120 0.000 0.000 0.298 75 V C -0.176 175.890 176.094 -0.046 0.000 1.048 75 V CA -0.529 61.625 62.300 -0.244 0.000 0.964 75 V CB 1.770 33.216 31.823 -0.628 0.000 1.004 75 V HN 0.757 nan 8.190 nan 0.000 0.466 76 D N 2.462 122.854 120.400 -0.013 0.000 2.943 76 D HA 0.209 4.849 4.640 0.000 0.000 0.249 76 D C 0.629 176.982 176.300 0.088 0.000 1.231 76 D CA -0.323 53.793 54.000 0.193 0.000 0.979 76 D CB -0.254 40.778 40.800 0.386 0.000 1.053 76 D HN 0.375 nan 8.370 nan 0.000 0.504 77 F N 0.465 120.515 119.950 0.166 0.000 2.773 77 F HA 0.091 4.618 4.527 0.000 0.000 0.299 77 F C 2.289 178.185 175.800 0.160 0.000 1.204 77 F CA 0.171 58.255 58.000 0.141 0.000 1.454 77 F CB -0.294 38.785 39.000 0.132 0.000 1.117 77 F HN 0.222 nan 8.300 nan 0.000 0.590 78 R N 0.614 121.286 120.500 0.285 0.000 2.140 78 R HA -0.280 4.060 4.340 0.000 0.000 0.250 78 R C 2.158 178.564 176.300 0.177 0.000 1.150 78 R CA 2.086 58.299 56.100 0.189 0.000 0.966 78 R CB -0.173 30.159 30.300 0.053 0.000 0.869 78 R HN 0.211 nan 8.270 nan 0.000 0.445 79 E N -0.166 120.139 120.200 0.174 0.000 2.158 79 E HA -0.116 4.234 4.350 0.000 0.000 0.191 79 E C 1.643 178.362 176.600 0.198 0.000 0.982 79 E CA 0.593 57.087 56.400 0.156 0.000 0.823 79 E CB -0.100 29.683 29.700 0.138 0.000 0.766 79 E HN 0.293 nan 8.360 nan 0.000 0.468 80 L N 0.703 122.087 121.223 0.268 0.000 2.109 80 L HA -0.015 4.326 4.340 0.000 0.000 0.207 80 L C 1.469 178.535 176.870 0.327 0.000 1.086 80 L CA 1.600 56.591 54.840 0.251 0.000 0.760 80 L CB -0.732 41.506 42.059 0.299 0.000 0.910 80 L HN 0.097 nan 8.230 nan 0.000 0.437 81 N N 0.314 119.262 118.700 0.414 0.000 2.104 81 N HA -0.227 4.513 4.740 0.000 0.000 0.190 81 N C 1.771 177.625 175.510 0.574 0.000 1.024 81 N CA 1.599 54.994 53.050 0.576 0.000 0.853 81 N CB -0.217 38.504 38.487 0.389 0.000 1.008 81 N HN 0.462 nan 8.380 nan 0.000 0.424 82 K N 0.818 121.429 120.400 0.352 0.000 2.103 82 K HA -0.026 4.294 4.320 0.000 0.000 0.207 82 K C 1.940 178.636 176.600 0.161 0.000 1.048 82 K CA 0.952 57.386 56.287 0.244 0.000 0.930 82 K CB -0.003 32.589 32.500 0.153 0.000 0.716 82 K HN 0.211 nan 8.250 nan 0.000 0.444 83 R N -0.039 120.551 120.500 0.150 0.000 2.275 83 R HA -0.013 4.327 4.340 0.000 0.000 0.199 83 R C 1.422 177.757 176.300 0.057 0.000 0.989 83 R CA 1.302 57.445 56.100 0.071 0.000 1.016 83 R CB 0.199 30.519 30.300 0.034 0.000 0.918 83 R HN 0.249 nan 8.270 nan 0.000 0.473 84 T N -2.893 111.759 114.554 0.164 0.000 3.174 84 T HA 0.049 4.400 4.350 0.000 0.000 0.269 84 T C 1.433 176.101 174.700 -0.053 0.000 1.017 84 T CA -0.408 61.798 62.100 0.178 0.000 0.899 84 T CB 0.714 69.843 68.868 0.435 0.000 1.077 84 T HN 0.079 nan 8.240 nan 0.000 0.552 85 Q N 1.758 121.418 119.800 -0.233 0.000 2.077 85 Q HA -0.265 4.075 4.340 0.000 0.000 0.206 85 Q C 1.888 177.304 176.000 -0.973 0.000 0.989 85 Q CA 2.386 57.592 55.803 -0.995 0.000 0.853 85 Q CB -0.428 28.009 28.738 -0.503 0.000 0.907 85 Q HN 0.571 nan 8.270 nan 0.000 0.418 86 D N -0.750 119.394 120.400 -0.428 0.000 2.158 86 D HA -0.212 4.428 4.640 0.000 0.000 0.197 86 D C 1.528 177.677 176.300 -0.252 0.000 0.995 86 D CA 1.276 55.104 54.000 -0.287 0.000 0.846 86 D CB -0.271 40.451 40.800 -0.131 0.000 0.941 86 D HN 0.383 nan 8.370 nan 0.000 0.456 87 F N 0.779 120.519 119.950 -0.350 0.000 2.051 87 F HA -0.096 4.432 4.527 0.000 0.000 0.296 87 F C 1.849 177.521 175.800 -0.213 0.000 1.122 87 F CA 1.936 59.802 58.000 -0.223 0.000 1.201 87 F CB -0.625 38.309 39.000 -0.109 0.000 0.978 87 F HN 0.269 nan 8.300 nan 0.000 0.472 88 W N 0.072 121.282 121.300 -0.150 0.000 3.290 88 W HA 0.203 4.863 4.660 0.000 0.000 0.287 88 W C 1.197 177.610 176.519 -0.177 0.000 1.288 88 W CA 0.634 57.795 57.345 -0.305 0.000 1.725 88 W CB -0.948 28.349 29.460 -0.273 0.000 1.103 88 W HN 0.287 nan 8.180 nan 0.000 0.670 89 E N 0.821 120.756 120.200 -0.442 0.000 2.490 89 E HA 0.042 4.392 4.350 0.000 0.000 0.209 89 E C 1.138 177.637 176.600 -0.167 0.000 0.971 89 E CA 0.256 56.519 56.400 -0.229 0.000 0.988 89 E CB 0.648 30.030 29.700 -0.530 0.000 1.029 89 E HN 0.059 nan 8.360 nan 0.000 0.496 90 V N 0.110 119.891 119.914 -0.221 0.000 3.449 90 V HA -0.039 4.081 4.120 0.000 0.000 0.208 90 V C 1.869 177.870 176.094 -0.154 0.000 1.269 90 V CA -0.042 62.167 62.300 -0.152 0.000 1.301 90 V CB -0.079 31.659 31.823 -0.142 0.000 1.306 90 V HN 0.036 nan 8.190 nan 0.000 0.531 91 Q N 1.150 120.830 119.800 -0.201 0.000 1.985 91 Q HA -0.058 4.282 4.340 0.000 0.000 0.207 91 Q C 0.741 176.592 176.000 -0.248 0.000 0.996 91 Q CA 1.541 57.219 55.803 -0.209 0.000 0.851 91 Q CB -0.339 28.250 28.738 -0.249 0.000 0.921 91 Q HN 0.475 nan 8.270 nan 0.000 0.418 92 L N 0.639 121.634 121.223 -0.381 0.000 2.417 92 L HA 0.558 4.898 4.340 0.000 0.000 0.259 92 L C -0.120 176.623 176.870 -0.211 0.000 1.023 92 L CA -0.703 53.949 54.840 -0.312 0.000 0.901 92 L CB 1.638 43.431 42.059 -0.443 0.000 1.227 92 L HN 0.008 nan 8.230 nan 0.000 0.454 93 G N 2.774 111.514 108.800 -0.099 0.000 2.478 93 G HA2 0.592 4.553 3.960 0.000 0.000 0.317 93 G HA3 0.592 4.553 3.960 0.000 0.000 0.317 93 G C -0.658 174.262 174.900 0.033 0.000 1.259 93 G CA -0.536 44.564 45.100 0.000 0.000 0.933 93 G HN 0.292 nan 8.290 nan 0.000 0.478 94 I N 4.538 125.140 120.570 0.054 0.000 2.581 94 I HA 0.149 4.319 4.170 0.000 0.000 0.285 94 I C -1.212 175.030 176.117 0.209 0.000 1.129 94 I CA -1.409 59.932 61.300 0.069 0.000 1.397 94 I CB 0.909 38.898 38.000 -0.018 0.000 1.399 94 I HN 0.303 nan 8.210 nan 0.000 0.537 95 P HA 0.102 nan 4.420 nan 0.000 0.275 95 P C -1.052 176.484 177.300 0.393 0.000 1.227 95 P CA -0.233 63.010 63.100 0.238 0.000 0.781 95 P CB 0.640 32.421 31.700 0.135 0.000 0.906 96 H N 4.206 123.377 119.070 0.168 0.000 2.594 96 H HA 0.380 4.936 4.556 0.000 0.000 0.304 96 H C -1.977 173.279 175.328 -0.119 0.000 1.068 96 H CA -1.750 54.236 56.048 -0.104 0.000 1.308 96 H CB 0.495 30.121 29.762 -0.226 0.000 1.409 96 H HN 0.256 nan 8.280 nan 0.000 0.460 97 P HA 0.197 nan 4.420 nan 0.000 0.293 97 P C 0.024 176.921 177.300 -0.672 0.000 1.300 97 P CA -0.583 62.239 63.100 -0.464 0.000 0.792 97 P CB 1.744 33.302 31.700 -0.237 0.000 0.925 98 A N 3.345 125.956 122.820 -0.349 0.000 2.259 98 A HA 0.042 4.362 4.320 0.000 0.000 0.212 98 A C 1.977 179.452 177.584 -0.182 0.000 1.178 98 A CA 1.360 53.263 52.037 -0.222 0.000 0.734 98 A CB -1.158 17.792 19.000 -0.084 0.000 0.774 98 A HN 0.674 nan 8.150 nan 0.000 0.481 99 G N 1.254 109.935 108.800 -0.199 0.000 2.575 99 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 99 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 99 G C 1.459 176.297 174.900 -0.102 0.000 1.262 99 G CA 1.112 46.139 45.100 -0.122 0.000 0.807 99 G HN 0.887 nan 8.290 nan 0.000 0.567 100 L N -0.399 120.759 121.223 -0.108 0.000 2.447 100 L HA 0.122 4.462 4.340 0.000 0.000 0.225 100 L C 2.485 179.305 176.870 -0.083 0.000 1.148 100 L CA 2.016 56.814 54.840 -0.071 0.000 0.808 100 L CB -0.497 41.546 42.059 -0.026 0.000 0.928 100 L HN 0.276 nan 8.230 nan 0.000 0.448 101 K N 1.376 121.726 120.400 -0.084 0.000 2.097 101 K HA -0.165 4.155 4.320 0.000 0.000 0.206 101 K C 1.951 178.512 176.600 -0.066 0.000 1.049 101 K CA 1.668 57.927 56.287 -0.045 0.000 0.933 101 K CB 0.072 32.531 32.500 -0.068 0.000 0.717 101 K HN 0.445 nan 8.250 nan 0.000 0.442 102 K N 0.233 120.589 120.400 -0.073 0.000 2.166 102 K HA 0.014 4.334 4.320 0.000 0.000 0.201 102 K C 0.480 177.032 176.600 -0.080 0.000 1.052 102 K CA 0.139 56.386 56.287 -0.067 0.000 0.969 102 K CB 0.114 32.585 32.500 -0.049 0.000 0.761 102 K HN -0.118 nan 8.250 nan 0.000 0.459 103 K N 1.884 122.238 120.400 -0.077 0.000 2.508 103 K HA -0.113 4.207 4.320 0.000 0.000 0.273 103 K C 0.806 177.343 176.600 -0.104 0.000 0.964 103 K CA 0.672 56.919 56.287 -0.066 0.000 0.948 103 K CB 0.335 32.813 32.500 -0.036 0.000 0.917 103 K HN -0.070 nan 8.250 nan 0.000 0.512 104 K N -0.174 120.178 120.400 -0.080 0.000 2.365 104 K HA 0.081 4.402 4.320 0.000 0.000 0.197 104 K C -0.615 175.930 176.600 -0.092 0.000 1.042 104 K CA 0.454 56.683 56.287 -0.097 0.000 0.987 104 K CB 0.372 32.828 32.500 -0.073 0.000 0.779 104 K HN 0.426 nan 8.250 nan 0.000 0.484 105 S N -0.323 115.305 115.700 -0.120 0.000 2.563 105 S HA 0.346 4.816 4.470 0.000 0.000 0.279 105 S C -1.614 172.856 174.600 -0.216 0.000 1.155 105 S CA -0.893 57.188 58.200 -0.199 0.000 0.928 105 S CB 2.185 65.185 63.200 -0.334 0.000 1.107 105 S HN -0.092 nan 8.310 nan 0.000 0.462 106 V N 2.506 122.289 119.914 -0.219 0.000 2.656 106 V HA 0.705 4.825 4.120 0.000 0.000 0.307 106 V C -0.167 175.919 176.094 -0.013 0.000 1.051 106 V CA -0.454 61.830 62.300 -0.026 0.000 0.893 106 V CB 2.307 34.144 31.823 0.023 0.000 0.999 106 V HN 0.874 nan 8.190 nan 0.000 0.426 107 T N 3.231 117.883 114.554 0.163 0.000 2.885 107 T HA 0.670 5.020 4.350 0.000 0.000 0.285 107 T C -0.732 174.031 174.700 0.106 0.000 1.019 107 T CA -0.422 61.789 62.100 0.185 0.000 1.010 107 T CB 1.908 70.973 68.868 0.329 0.000 1.022 107 T HN 0.382 nan 8.240 nan 0.000 0.466 108 V N 4.169 124.157 119.914 0.123 0.000 2.409 108 V HA 0.492 4.612 4.120 0.000 0.000 0.291 108 V C -0.815 175.244 176.094 -0.060 0.000 1.020 108 V CA -0.939 61.278 62.300 -0.138 0.000 0.848 108 V CB 1.413 33.096 31.823 -0.234 0.000 0.990 108 V HN 0.599 nan 8.190 nan 0.000 0.430 109 L N 3.192 124.316 121.223 -0.166 0.000 2.329 109 L HA 0.484 4.824 4.340 0.000 0.000 0.279 109 L C 0.070 176.842 176.870 -0.163 0.000 1.014 109 L CA -0.195 54.560 54.840 -0.142 0.000 0.814 109 L CB 1.547 43.523 42.059 -0.138 0.000 1.257 109 L HN 0.693 nan 8.230 nan 0.000 0.424 110 D N 1.495 121.805 120.400 -0.150 0.000 2.713 110 D HA 0.108 4.748 4.640 0.000 0.000 0.229 110 D C 1.345 177.526 176.300 -0.199 0.000 1.136 110 D CA -0.168 53.739 54.000 -0.155 0.000 1.010 110 D CB 0.369 41.086 40.800 -0.137 0.000 1.084 110 D HN 0.359 nan 8.370 nan 0.000 0.495 111 V N 0.639 120.417 119.914 -0.226 0.000 3.078 111 V HA 0.058 4.178 4.120 0.000 0.000 0.265 111 V C 2.206 177.994 176.094 -0.509 0.000 1.122 111 V CA 1.260 63.377 62.300 -0.304 0.000 1.141 111 V CB -0.789 30.874 31.823 -0.266 0.000 0.735 111 V HN 0.374 nan 8.190 nan 0.000 0.498 112 G N 0.632 109.139 108.800 -0.487 0.000 2.507 112 G HA2 -0.395 3.565 3.960 0.000 0.000 0.221 112 G HA3 -0.395 3.565 3.960 0.000 0.000 0.221 112 G C 1.356 175.677 174.900 -0.965 0.000 1.119 112 G CA 1.106 45.763 45.100 -0.738 0.000 0.751 112 G HN 0.614 nan 8.290 nan 0.000 0.574 113 D N 1.235 121.249 120.400 -0.644 0.000 2.203 113 D HA -0.179 4.462 4.640 0.000 0.000 0.199 113 D C 2.687 178.596 176.300 -0.651 0.000 0.997 113 D CA 1.240 54.879 54.000 -0.602 0.000 0.863 113 D CB -0.236 40.397 40.800 -0.279 0.000 0.928 113 D HN 0.295 nan 8.370 nan 0.000 0.458 114 A N 0.104 122.469 122.820 -0.758 0.000 1.971 114 A HA -0.252 4.068 4.320 0.000 0.000 0.222 114 A C 1.948 179.121 177.584 -0.684 0.000 1.182 114 A CA 1.692 53.264 52.037 -0.774 0.000 0.649 114 A CB -1.240 17.045 19.000 -1.191 0.000 0.818 114 A HN 0.386 nan 8.150 nan 0.000 0.458 115 Y N -1.373 118.567 120.300 -0.599 0.000 2.293 115 Y HA -0.099 4.451 4.550 0.000 0.000 0.291 115 Y C 1.973 177.813 175.900 -0.100 0.000 1.137 115 Y CA 0.264 58.114 58.100 -0.417 0.000 1.202 115 Y CB -1.039 37.206 38.460 -0.357 0.000 0.990 115 Y HN 0.322 nan 8.280 nan 0.000 0.537 116 F N -0.111 119.873 119.950 0.058 0.000 2.346 116 F HA -0.225 4.303 4.527 0.000 0.000 0.301 116 F C 2.304 178.150 175.800 0.076 0.000 1.070 116 F CA 0.951 59.001 58.000 0.084 0.000 1.407 116 F CB -1.289 37.742 39.000 0.051 0.000 1.072 116 F HN -0.033 nan 8.300 nan 0.000 0.543 117 S N -0.882 114.940 115.700 0.204 0.000 2.387 117 S HA -0.008 4.462 4.470 0.000 0.000 0.226 117 S C 0.950 175.668 174.600 0.197 0.000 1.026 117 S CA 0.335 58.639 58.200 0.174 0.000 0.972 117 S CB -0.132 63.152 63.200 0.140 0.000 0.814 117 S HN -0.023 nan 8.310 nan 0.000 0.477 118 V N 4.804 124.849 119.914 0.219 0.000 2.509 118 V HA 0.309 4.429 4.120 0.000 0.000 0.284 118 V C -2.135 174.089 176.094 0.217 0.000 1.047 118 V CA -2.097 60.337 62.300 0.223 0.000 0.952 118 V CB 1.212 33.188 31.823 0.255 0.000 0.988 118 V HN 0.192 nan 8.190 nan 0.000 0.469 119 P HA 0.295 nan 4.420 nan 0.000 0.281 119 P C -0.761 176.657 177.300 0.196 0.000 1.249 119 P CA -0.449 62.759 63.100 0.180 0.000 0.810 119 P CB 1.564 33.349 31.700 0.142 0.000 1.008 120 L N 1.787 123.134 121.223 0.206 0.000 2.357 120 L HA 0.258 4.598 4.340 0.000 0.000 0.273 120 L C 0.825 177.803 176.870 0.179 0.000 1.080 120 L CA -0.559 54.413 54.840 0.219 0.000 0.803 120 L CB 0.776 42.976 42.059 0.235 0.000 1.174 120 L HN 0.424 nan 8.230 nan 0.000 0.443 121 D N 1.527 122.035 120.400 0.179 0.000 2.478 121 D HA -0.147 4.493 4.640 0.000 0.000 0.234 121 D C 0.861 177.245 176.300 0.140 0.000 1.154 121 D CA 0.407 54.496 54.000 0.149 0.000 0.874 121 D CB 1.029 41.912 40.800 0.139 0.000 1.198 121 D HN 0.549 nan 8.370 nan 0.000 0.455 122 E N 1.700 121.964 120.200 0.107 0.000 2.047 122 E HA -0.172 4.178 4.350 0.000 0.000 0.191 122 E C 0.990 177.633 176.600 0.070 0.000 0.987 122 E CA 1.827 58.275 56.400 0.080 0.000 0.799 122 E CB -0.115 29.621 29.700 0.061 0.000 0.752 122 E HN 0.578 nan 8.360 nan 0.000 0.449 123 D N -0.211 120.242 120.400 0.088 0.000 2.104 123 D HA -0.172 4.468 4.640 0.000 0.000 0.194 123 D C 1.578 177.947 176.300 0.116 0.000 0.994 123 D CA 1.142 55.193 54.000 0.084 0.000 0.830 123 D CB -0.568 40.298 40.800 0.111 0.000 0.959 123 D HN 0.250 nan 8.370 nan 0.000 0.452 124 F N 1.323 121.290 119.950 0.028 0.000 2.451 124 F HA -0.018 4.509 4.527 0.000 0.000 0.299 124 F C 2.058 177.873 175.800 0.025 0.000 1.101 124 F CA 0.797 58.836 58.000 0.064 0.000 1.436 124 F CB 0.055 38.970 39.000 -0.141 0.000 1.074 124 F HN -0.202 nan 8.300 nan 0.000 0.553 125 R N 0.842 121.331 120.500 -0.018 0.000 2.105 125 R HA -0.219 4.121 4.340 0.000 0.000 0.239 125 R C 2.353 178.544 176.300 -0.181 0.000 1.135 125 R CA 1.898 57.956 56.100 -0.071 0.000 0.967 125 R CB -0.375 29.942 30.300 0.028 0.000 0.861 125 R HN 0.408 nan 8.270 nan 0.000 0.442 126 K N -0.321 119.905 120.400 -0.291 0.000 2.127 126 K HA -0.228 4.092 4.320 0.000 0.000 0.208 126 K C 1.295 177.627 176.600 -0.446 0.000 1.047 126 K CA 1.967 58.034 56.287 -0.366 0.000 0.927 126 K CB -0.541 31.654 32.500 -0.508 0.000 0.716 126 K HN 0.268 nan 8.250 nan 0.000 0.450 127 Y N 2.262 122.283 120.300 -0.465 0.000 2.561 127 Y HA -0.033 4.518 4.550 0.000 0.000 0.291 127 Y C 2.160 177.906 175.900 -0.257 0.000 1.141 127 Y CA 1.143 58.911 58.100 -0.553 0.000 1.303 127 Y CB -0.283 37.578 38.460 -0.998 0.000 1.015 127 Y HN 0.316 nan 8.280 nan 0.000 0.547 128 T N -2.290 112.254 114.554 -0.016 0.000 3.188 128 T HA 0.462 4.813 4.350 0.000 0.000 0.250 128 T C 0.904 175.921 174.700 0.529 0.000 1.077 128 T CA 0.003 62.315 62.100 0.354 0.000 0.967 128 T CB -0.586 68.447 68.868 0.275 0.000 1.006 128 T HN 0.216 nan 8.240 nan 0.000 0.552 129 A N 1.897 124.901 122.820 0.307 0.000 2.555 129 A HA 0.514 4.834 4.320 0.000 0.000 0.233 129 A C -0.035 177.762 177.584 0.355 0.000 1.060 129 A CA -0.284 51.907 52.037 0.257 0.000 0.759 129 A CB -0.497 18.575 19.000 0.120 0.000 0.995 129 A HN 0.817 nan 8.150 nan 0.000 0.506 130 F N -1.418 118.578 119.950 0.077 0.000 2.654 130 F HA 0.719 5.246 4.527 0.000 0.000 0.308 130 F C -0.574 175.228 175.800 0.004 0.000 1.108 130 F CA -0.877 57.133 58.000 0.017 0.000 0.957 130 F CB 1.204 40.210 39.000 0.010 0.000 1.309 130 F HN 0.315 nan 8.300 nan 0.000 0.446 131 T N 3.793 118.342 114.554 -0.007 0.000 2.815 131 T HA 0.566 4.916 4.350 0.000 0.000 0.289 131 T C -0.287 174.386 174.700 -0.044 0.000 1.000 131 T CA -0.365 61.662 62.100 -0.122 0.000 0.958 131 T CB 0.966 69.770 68.868 -0.107 0.000 0.944 131 T HN 0.583 nan 8.240 nan 0.000 0.442 132 I N 6.663 127.201 120.570 -0.054 0.000 2.416 132 I HA 0.275 4.445 4.170 0.000 0.000 0.288 132 I C -1.670 174.416 176.117 -0.052 0.000 1.051 132 I CA -2.114 59.188 61.300 0.002 0.000 1.375 132 I CB 1.116 39.157 38.000 0.068 0.000 1.407 132 I HN 0.334 nan 8.210 nan 0.000 0.516 133 P HA 0.182 nan 4.420 nan 0.000 0.279 133 P C -0.931 176.340 177.300 -0.048 0.000 1.276 133 P CA -0.419 62.649 63.100 -0.054 0.000 0.801 133 P CB 1.331 33.000 31.700 -0.050 0.000 1.127 134 S N -0.672 115.000 115.700 -0.046 0.000 2.542 134 S HA 0.517 4.987 4.470 0.000 0.000 0.293 134 S C 0.060 174.638 174.600 -0.037 0.000 1.089 134 S CA -0.958 57.216 58.200 -0.043 0.000 0.961 134 S CB 0.500 63.674 63.200 -0.044 0.000 1.062 134 S HN 0.271 nan 8.310 nan 0.000 0.483 135 I N 2.819 123.368 120.570 -0.036 0.000 2.710 135 I HA 0.072 4.242 4.170 0.000 0.000 0.286 135 I C 1.351 177.452 176.117 -0.028 0.000 1.181 135 I CA 0.255 61.536 61.300 -0.032 0.000 1.430 135 I CB -0.283 37.698 38.000 -0.031 0.000 1.367 135 I HN 1.063 nan 8.210 nan 0.000 0.577 136 N N 4.923 123.609 118.700 -0.025 0.000 2.650 136 N HA -0.311 4.430 4.740 0.000 0.000 0.249 136 N C -0.185 175.311 175.510 -0.024 0.000 1.155 136 N CA 1.228 54.265 53.050 -0.022 0.000 0.747 136 N CB -0.919 37.556 38.487 -0.019 0.000 1.132 136 N HN 0.855 nan 8.380 nan 0.000 0.564 137 N N -1.074 117.610 118.700 -0.027 0.000 2.708 137 N HA -0.206 4.534 4.740 0.000 0.000 0.255 137 N C 0.157 175.649 175.510 -0.030 0.000 1.046 137 N CA 1.104 54.136 53.050 -0.030 0.000 0.715 137 N CB -0.759 37.712 38.487 -0.027 0.000 0.895 137 N HN 0.682 nan 8.380 nan 0.000 0.545 138 E N -0.276 119.905 120.200 -0.031 0.000 2.072 138 E HA -0.083 4.267 4.350 0.000 0.000 0.191 138 E C 1.093 177.672 176.600 -0.035 0.000 0.985 138 E CA 1.227 57.608 56.400 -0.030 0.000 0.801 138 E CB 0.189 29.871 29.700 -0.030 0.000 0.750 138 E HN 0.480 nan 8.360 nan 0.000 0.452 139 T N 0.287 114.816 114.554 -0.041 0.000 2.903 139 T HA 0.290 4.640 4.350 0.000 0.000 0.299 139 T C -2.829 171.837 174.700 -0.057 0.000 1.093 139 T CA -2.327 59.743 62.100 -0.049 0.000 1.002 139 T CB 1.844 70.680 68.868 -0.054 0.000 1.127 139 T HN -0.205 nan 8.240 nan 0.000 0.488 140 P HA 0.247 nan 4.420 nan 0.000 0.268 140 P C 0.589 177.833 177.300 -0.093 0.000 1.204 140 P CA -0.012 63.045 63.100 -0.072 0.000 0.768 140 P CB 0.059 31.716 31.700 -0.073 0.000 0.842 141 G N 4.109 112.852 108.800 -0.095 0.000 2.257 141 G HA2 0.087 4.047 3.960 0.000 0.000 0.235 141 G HA3 0.087 4.047 3.960 0.000 0.000 0.235 141 G C 0.282 175.075 174.900 -0.178 0.000 1.225 141 G CA -0.443 44.585 45.100 -0.119 0.000 0.878 141 G HN 0.431 nan 8.290 nan 0.000 0.505 142 I N 1.744 122.177 120.570 -0.228 0.000 2.428 142 I HA 0.339 4.509 4.170 0.000 0.000 0.289 142 I C 0.777 176.573 176.117 -0.536 0.000 1.019 142 I CA -0.285 60.781 61.300 -0.389 0.000 1.351 142 I CB 1.232 38.962 38.000 -0.450 0.000 1.412 142 I HN 0.454 nan 8.210 nan 0.000 0.513 143 R N 5.233 125.362 120.500 -0.619 0.000 2.562 143 R HA 0.659 4.999 4.340 0.000 0.000 0.298 143 R C -1.444 174.391 176.300 -0.776 0.000 0.961 143 R CA -0.558 55.180 56.100 -0.604 0.000 0.881 143 R CB 1.932 32.026 30.300 -0.343 0.000 1.159 143 R HN 0.403 nan 8.270 nan 0.000 0.450 144 Y N 0.176 120.045 120.300 -0.719 0.000 2.638 144 Y HA 0.344 4.894 4.550 0.000 0.000 0.339 144 Y C -0.427 175.206 175.900 -0.445 0.000 1.084 144 Y CA -0.999 56.717 58.100 -0.640 0.000 1.068 144 Y CB 2.221 40.172 38.460 -0.848 0.000 1.294 144 Y HN 0.467 nan 8.280 nan 0.000 0.480 145 Q N -0.158 119.703 119.800 0.100 0.000 2.340 145 Q HA 0.494 4.834 4.340 0.000 0.000 0.276 145 Q C -2.087 174.065 176.000 0.254 0.000 1.048 145 Q CA -1.062 54.899 55.803 0.263 0.000 0.832 145 Q CB 1.899 30.717 28.738 0.134 0.000 1.373 145 Q HN 0.615 nan 8.270 nan 0.000 0.409 146 Y N 1.560 122.023 120.300 0.272 0.000 2.457 146 Y HA 0.112 4.662 4.550 0.000 0.000 0.341 146 Y C 0.566 176.540 175.900 0.123 0.000 1.240 146 Y CA 0.706 58.922 58.100 0.192 0.000 1.437 146 Y CB 0.874 39.452 38.460 0.197 0.000 1.328 146 Y HN 0.808 nan 8.280 nan 0.000 0.588 147 N N -0.477 118.374 118.700 0.251 0.000 2.143 147 N HA 0.225 4.965 4.740 0.000 0.000 0.222 147 N C -1.406 174.228 175.510 0.208 0.000 1.264 147 N CA -0.013 53.142 53.050 0.176 0.000 0.897 147 N CB 1.177 39.726 38.487 0.103 0.000 1.092 147 N HN 0.306 nan 8.380 nan 0.000 0.516 148 V N -2.370 117.722 119.914 0.297 0.000 3.159 148 V HA 0.510 4.631 4.120 0.000 0.000 0.308 148 V C -0.367 175.950 176.094 0.372 0.000 1.190 148 V CA -1.386 61.100 62.300 0.310 0.000 1.037 148 V CB 1.488 33.490 31.823 0.299 0.000 1.060 148 V HN -0.083 nan 8.190 nan 0.000 0.437 149 L N 3.600 125.026 121.223 0.338 0.000 2.640 149 L HA 0.233 4.574 4.340 0.000 0.000 0.280 149 L C -2.033 175.011 176.870 0.290 0.000 1.229 149 L CA -0.587 54.437 54.840 0.308 0.000 0.919 149 L CB 0.249 42.444 42.059 0.227 0.000 1.168 149 L HN 0.567 nan 8.230 nan 0.000 0.496 150 P HA 0.141 nan 4.420 nan 0.000 0.297 150 P C -1.155 176.158 177.300 0.020 0.000 1.331 150 P CA -0.739 62.248 63.100 -0.189 0.000 0.803 150 P CB 1.031 32.174 31.700 -0.928 0.000 0.929 151 Q N 2.123 121.992 119.800 0.114 0.000 2.292 151 Q HA 0.238 4.578 4.340 0.000 0.000 0.290 151 Q C 1.136 177.195 176.000 0.099 0.000 1.161 151 Q CA 1.274 57.111 55.803 0.057 0.000 0.974 151 Q CB -0.499 28.215 28.738 -0.039 0.000 1.136 151 Q HN 0.907 nan 8.270 nan 0.000 0.398 152 G N 2.489 111.342 108.800 0.088 0.000 2.551 152 G HA2 -0.188 3.772 3.960 0.000 0.000 0.186 152 G HA3 -0.188 3.772 3.960 0.000 0.000 0.186 152 G C -0.829 174.175 174.900 0.172 0.000 1.002 152 G CA -0.682 44.510 45.100 0.154 0.000 0.723 152 G HN 0.586 nan 8.290 nan 0.000 0.481 153 W N 3.453 124.662 121.300 -0.153 0.000 2.315 153 W HA 0.697 5.358 4.660 0.000 0.000 0.316 153 W C 1.019 177.352 176.519 -0.310 0.000 1.211 153 W CA -0.794 56.400 57.345 -0.252 0.000 1.201 153 W CB 0.936 30.159 29.460 -0.394 0.000 1.184 153 W HN 0.003 nan 8.180 nan 0.000 0.544 154 K N 3.137 123.134 120.400 -0.671 0.000 2.362 154 K HA -0.050 4.270 4.320 0.000 0.000 0.200 154 K C 1.968 177.877 176.600 -1.150 0.000 1.046 154 K CA 1.145 56.826 56.287 -1.010 0.000 0.952 154 K CB -0.132 31.387 32.500 -1.635 0.000 0.753 154 K HN 0.767 nan 8.250 nan 0.000 0.466 155 G N 0.471 107.963 108.800 -2.181 0.000 2.484 155 G HA2 -0.165 3.795 3.960 0.000 0.000 0.218 155 G HA3 -0.165 3.795 3.960 0.000 0.000 0.218 155 G C 1.444 175.417 174.900 -1.544 0.000 1.130 155 G CA 0.319 44.107 45.100 -2.187 0.000 0.784 155 G HN 0.133 nan 8.290 nan 0.000 0.543 156 S N 1.584 116.532 115.700 -1.254 0.000 2.338 156 S HA -0.055 4.416 4.470 0.000 0.000 0.218 156 S C 0.034 174.156 174.600 -0.797 0.000 1.032 156 S CA 1.291 59.053 58.200 -0.731 0.000 0.999 156 S CB -0.778 61.989 63.200 -0.722 0.000 0.905 156 S HN 0.248 nan 8.310 nan 0.000 0.439 157 P HA 0.019 nan 4.420 nan 0.000 0.221 157 P C 1.198 178.326 177.300 -0.286 0.000 1.145 157 P CA 1.138 63.920 63.100 -0.529 0.000 0.795 157 P CB -0.071 31.365 31.700 -0.439 0.000 0.775 158 A N -0.529 122.060 122.820 -0.384 0.000 1.898 158 A HA -0.164 4.156 4.320 0.000 0.000 0.216 158 A C 2.029 179.495 177.584 -0.196 0.000 1.181 158 A CA 1.339 53.195 52.037 -0.302 0.000 0.620 158 A CB -1.307 17.428 19.000 -0.442 0.000 0.819 158 A HN 0.025 nan 8.150 nan 0.000 0.442 159 I N -1.655 118.827 120.570 -0.146 0.000 2.133 159 I HA -0.144 4.026 4.170 0.000 0.000 0.238 159 I C 2.280 178.441 176.117 0.073 0.000 1.074 159 I CA 1.210 62.507 61.300 -0.005 0.000 1.342 159 I CB -1.601 36.441 38.000 0.070 0.000 1.053 159 I HN 0.389 nan 8.210 nan 0.000 0.404 160 F N 2.121 122.047 119.950 -0.041 0.000 2.449 160 F HA -0.203 4.324 4.527 0.000 0.000 0.299 160 F C 2.526 178.320 175.800 -0.010 0.000 1.092 160 F CA 1.033 59.049 58.000 0.026 0.000 1.446 160 F CB -0.308 38.781 39.000 0.150 0.000 1.084 160 F HN 0.126 nan 8.300 nan 0.000 0.567 161 Q N 0.411 120.198 119.800 -0.022 0.000 2.118 161 Q HA -0.222 4.118 4.340 0.000 0.000 0.211 161 Q C 2.415 178.303 176.000 -0.187 0.000 0.998 161 Q CA 2.192 57.932 55.803 -0.105 0.000 0.872 161 Q CB -0.770 27.914 28.738 -0.089 0.000 0.925 161 Q HN 0.440 nan 8.270 nan 0.000 0.414 162 S N 0.112 115.715 115.700 -0.162 0.000 2.359 162 S HA -0.162 4.308 4.470 0.000 0.000 0.223 162 S C 2.161 176.617 174.600 -0.240 0.000 1.039 162 S CA 1.562 59.671 58.200 -0.152 0.000 1.042 162 S CB -0.390 62.755 63.200 -0.091 0.000 0.915 162 S HN 0.326 nan 8.310 nan 0.000 0.439 163 S N 1.395 116.852 115.700 -0.404 0.000 2.336 163 S HA -0.049 4.421 4.470 0.000 0.000 0.214 163 S C 1.948 176.143 174.600 -0.675 0.000 1.032 163 S CA 1.425 59.289 58.200 -0.559 0.000 1.001 163 S CB -0.505 62.195 63.200 -0.833 0.000 0.953 163 S HN 0.348 nan 8.310 nan 0.000 0.430 164 M N 2.275 121.242 119.600 -1.054 0.000 2.124 164 M HA -0.214 4.267 4.480 0.000 0.000 0.253 164 M C 2.135 178.216 176.300 -0.365 0.000 1.077 164 M CA 2.407 57.356 55.300 -0.584 0.000 1.085 164 M CB -1.469 30.980 32.600 -0.252 0.000 1.320 164 M HN 0.574 nan 8.290 nan 0.000 0.404 165 T N -2.114 112.266 114.554 -0.290 0.000 2.684 165 T HA -0.216 4.135 4.350 0.000 0.000 0.267 165 T C 1.854 176.424 174.700 -0.216 0.000 1.036 165 T CA 1.833 63.812 62.100 -0.202 0.000 1.148 165 T CB -0.638 68.147 68.868 -0.139 0.000 0.863 165 T HN 0.510 nan 8.240 nan 0.000 0.436 166 K N 0.944 121.206 120.400 -0.231 0.000 2.026 166 K HA 0.059 4.379 4.320 0.000 0.000 0.208 166 K C 2.375 178.723 176.600 -0.421 0.000 1.048 166 K CA 1.624 57.788 56.287 -0.205 0.000 0.929 166 K CB -0.522 31.913 32.500 -0.109 0.000 0.713 166 K HN 0.376 nan 8.250 nan 0.000 0.439 167 I N 1.249 121.427 120.570 -0.653 0.000 2.315 167 I HA -0.291 3.879 4.170 0.000 0.000 0.251 167 I C 1.925 177.520 176.117 -0.870 0.000 1.125 167 I CA 1.306 61.896 61.300 -1.184 0.000 1.392 167 I CB -0.198 37.296 38.000 -0.843 0.000 1.065 167 I HN 0.159 nan 8.210 nan 0.000 0.424 168 L N -0.637 120.282 121.223 -0.506 0.000 2.513 168 L HA 0.033 4.373 4.340 0.000 0.000 0.222 168 L C 2.291 179.118 176.870 -0.072 0.000 1.096 168 L CA 0.045 54.692 54.840 -0.323 0.000 0.857 168 L CB -0.416 41.477 42.059 -0.277 0.000 1.026 168 L HN 0.080 nan 8.230 nan 0.000 0.469 169 E N 0.793 120.948 120.200 -0.076 0.000 2.114 169 E HA -0.206 4.145 4.350 0.000 0.000 0.199 169 E C -0.410 176.242 176.600 0.086 0.000 1.008 169 E CA 1.576 57.982 56.400 0.009 0.000 0.810 169 E CB -1.475 28.226 29.700 0.001 0.000 0.739 169 E HN 0.418 nan 8.360 nan 0.000 0.456 170 P HA -0.118 nan 4.420 nan 0.000 0.210 170 P C 1.520 178.951 177.300 0.219 0.000 1.191 170 P CA 0.771 63.979 63.100 0.181 0.000 0.917 170 P CB -0.294 31.541 31.700 0.225 0.000 0.778 171 F N 1.240 121.360 119.950 0.284 0.000 2.115 171 F HA -0.240 4.287 4.527 0.000 0.000 0.300 171 F C 1.800 177.643 175.800 0.072 0.000 1.092 171 F CA 1.767 59.892 58.000 0.208 0.000 1.245 171 F CB -0.563 38.602 39.000 0.274 0.000 0.995 171 F HN -0.199 nan 8.300 nan 0.000 0.481 172 K N -0.138 120.469 120.400 0.345 0.000 2.283 172 K HA -0.181 4.140 4.320 0.000 0.000 0.202 172 K C 2.150 178.808 176.600 0.097 0.000 1.048 172 K CA 1.048 57.462 56.287 0.210 0.000 0.948 172 K CB -0.129 32.442 32.500 0.118 0.000 0.742 172 K HN 0.314 nan 8.250 nan 0.000 0.458 173 K N 1.732 122.172 120.400 0.067 0.000 2.005 173 K HA -0.185 4.135 4.320 0.000 0.000 0.206 173 K C 2.260 178.848 176.600 -0.019 0.000 1.044 173 K CA 1.394 57.695 56.287 0.023 0.000 0.942 173 K CB 0.077 32.592 32.500 0.026 0.000 0.727 173 K HN 0.158 nan 8.250 nan 0.000 0.439 174 Q N 0.026 119.786 119.800 -0.067 0.000 2.170 174 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 174 Q C -0.281 175.636 176.000 -0.139 0.000 0.976 174 Q CA 1.399 57.130 55.803 -0.120 0.000 0.858 174 Q CB -0.261 28.365 28.738 -0.186 0.000 0.907 174 Q HN 0.173 nan 8.270 nan 0.000 0.433 175 N N 1.715 120.321 118.700 -0.158 0.000 2.898 175 N HA 0.218 4.958 4.740 0.000 0.000 0.245 175 N C -2.441 173.078 175.510 0.014 0.000 1.185 175 N CA -1.477 51.517 53.050 -0.095 0.000 0.879 175 N CB 1.763 40.156 38.487 -0.155 0.000 1.157 175 N HN 0.108 nan 8.380 nan 0.000 0.503 176 P HA 0.026 nan 4.420 nan 0.000 0.242 176 P C -0.049 177.271 177.300 0.034 0.000 1.197 176 P CA 0.802 63.917 63.100 0.025 0.000 0.765 176 P CB 0.489 32.195 31.700 0.010 0.000 0.936 177 D N -1.447 118.977 120.400 0.041 0.000 2.431 177 D HA 0.073 4.713 4.640 0.000 0.000 0.227 177 D C 0.634 176.974 176.300 0.066 0.000 1.030 177 D CA 0.121 54.148 54.000 0.044 0.000 0.897 177 D CB -0.141 40.681 40.800 0.036 0.000 1.058 177 D HN 0.050 nan 8.370 nan 0.000 0.500 178 I N 1.998 122.627 120.570 0.099 0.000 2.683 178 I HA -0.031 4.139 4.170 0.000 0.000 0.286 178 I C 0.320 176.502 176.117 0.108 0.000 1.175 178 I CA -0.231 61.147 61.300 0.129 0.000 1.429 178 I CB 0.460 38.588 38.000 0.214 0.000 1.371 178 I HN -0.200 nan 8.210 nan 0.000 0.569 179 V N 5.884 125.851 119.914 0.088 0.000 2.483 179 V HA 0.686 4.806 4.120 0.000 0.000 0.295 179 V C -0.256 175.890 176.094 0.088 0.000 1.035 179 V CA -0.704 61.639 62.300 0.071 0.000 0.896 179 V CB 1.536 33.384 31.823 0.042 0.000 0.986 179 V HN 0.467 nan 8.190 nan 0.000 0.447 180 I N 4.550 125.171 120.570 0.085 0.000 2.498 180 I HA 0.502 4.672 4.170 0.000 0.000 0.290 180 I C -1.409 174.820 176.117 0.185 0.000 1.032 180 I CA -0.649 60.710 61.300 0.097 0.000 1.073 180 I CB 2.170 40.163 38.000 -0.012 0.000 1.251 180 I HN 0.743 nan 8.210 nan 0.000 0.426 181 Y N 5.307 125.677 120.300 0.116 0.000 2.376 181 Y HA 0.384 4.935 4.550 0.000 0.000 0.340 181 Y C -0.606 175.441 175.900 0.245 0.000 0.965 181 Y CA -0.706 57.483 58.100 0.149 0.000 1.078 181 Y CB 1.806 40.348 38.460 0.135 0.000 1.193 181 Y HN 0.527 nan 8.280 nan 0.000 0.452 182 Q N 6.109 125.596 119.800 -0.522 0.000 2.394 182 Q HA 0.257 4.597 4.340 0.000 0.000 0.259 182 Q C -2.200 173.531 176.000 -0.448 0.000 1.021 182 Q CA -0.774 54.855 55.803 -0.291 0.000 0.805 182 Q CB 0.820 29.470 28.738 -0.147 0.000 1.226 182 Q HN 0.751 nan 8.270 nan 0.000 0.476 183 Y N 6.580 126.765 120.300 -0.192 0.000 2.345 183 Y HA 0.326 4.877 4.550 0.000 0.000 0.331 183 Y C 0.168 176.121 175.900 0.088 0.000 0.959 183 Y CA -0.276 57.793 58.100 -0.052 0.000 1.204 183 Y CB 0.440 39.026 38.460 0.209 0.000 1.135 183 Y HN 0.934 nan 8.280 nan 0.000 0.477 184 M N 1.498 120.810 119.600 -0.480 0.000 7.319 184 M HA -0.415 4.065 4.480 0.000 0.000 0.213 184 M C 0.353 176.676 176.300 0.038 0.000 0.480 184 M CA 1.895 57.000 55.300 -0.325 0.000 1.311 184 M CB -0.786 31.618 32.600 -0.326 0.000 0.421 184 M HN 0.554 nan 8.290 nan 0.000 0.606 185 D N 1.304 121.781 120.400 0.129 0.000 2.392 185 D HA 0.070 4.710 4.640 0.000 0.000 0.228 185 D C -0.180 176.136 176.300 0.027 0.000 1.003 185 D CA 0.952 55.050 54.000 0.163 0.000 0.917 185 D CB -0.292 40.549 40.800 0.068 0.000 0.890 185 D HN 0.278 nan 8.370 nan 0.000 0.532 186 D N -0.240 120.214 120.400 0.090 0.000 2.423 186 D HA 0.415 5.055 4.640 0.000 0.000 0.235 186 D C -0.642 175.663 176.300 0.010 0.000 1.011 186 D CA -0.647 53.358 54.000 0.008 0.000 0.963 186 D CB 2.263 43.060 40.800 -0.005 0.000 1.349 186 D HN -0.171 nan 8.370 nan 0.000 0.508 187 L N 1.613 122.758 121.223 -0.130 0.000 2.372 187 L HA 0.297 4.637 4.340 0.000 0.000 0.274 187 L C -1.542 175.251 176.870 -0.129 0.000 0.988 187 L CA -0.546 54.261 54.840 -0.056 0.000 0.833 187 L CB 1.022 43.019 42.059 -0.104 0.000 1.236 187 L HN 0.237 nan 8.230 nan 0.000 0.410 188 Y N 4.143 124.517 120.300 0.122 0.000 2.404 188 Y HA 0.488 5.038 4.550 0.000 0.000 0.344 188 Y C 0.047 176.008 175.900 0.102 0.000 0.970 188 Y CA -0.670 57.517 58.100 0.146 0.000 1.180 188 Y CB 1.262 39.854 38.460 0.221 0.000 1.138 188 Y HN 0.198 nan 8.280 nan 0.000 0.510 189 V N 3.835 123.838 119.914 0.148 0.000 2.328 189 V HA 0.683 4.804 4.120 0.000 0.000 0.278 189 V C 0.416 176.622 176.094 0.186 0.000 1.021 189 V CA -0.685 61.675 62.300 0.102 0.000 0.838 189 V CB 1.045 32.861 31.823 -0.012 0.000 0.999 189 V HN 0.905 nan 8.190 nan 0.000 0.447 190 G N 3.105 112.011 108.800 0.176 0.000 2.513 190 G HA2 0.731 4.691 3.960 0.000 0.000 0.317 190 G HA3 0.731 4.691 3.960 0.000 0.000 0.317 190 G C -0.503 174.512 174.900 0.191 0.000 1.277 190 G CA -0.210 45.007 45.100 0.195 0.000 0.955 190 G HN 0.877 nan 8.290 nan 0.000 0.484 191 S N -0.038 115.812 115.700 0.250 0.000 2.651 191 S HA 0.530 5.000 4.470 0.000 0.000 0.279 191 S C -0.551 174.123 174.600 0.124 0.000 1.148 191 S CA -0.751 57.571 58.200 0.203 0.000 0.837 191 S CB 2.398 65.773 63.200 0.291 0.000 1.138 191 S HN 0.329 nan 8.310 nan 0.000 0.478 192 D N 0.129 120.582 120.400 0.087 0.000 2.379 192 D HA 0.236 4.877 4.640 0.000 0.000 0.208 192 D C 0.488 176.817 176.300 0.049 0.000 1.065 192 D CA 0.083 54.106 54.000 0.039 0.000 0.848 192 D CB -0.029 40.783 40.800 0.020 0.000 0.949 192 D HN 0.253 nan 8.370 nan 0.000 0.509 193 L N 1.231 122.513 121.223 0.098 0.000 2.428 193 L HA -0.029 4.311 4.340 0.000 0.000 0.266 193 L C 0.968 177.887 176.870 0.082 0.000 1.269 193 L CA 0.547 55.444 54.840 0.094 0.000 0.821 193 L CB -0.058 42.078 42.059 0.129 0.000 1.095 193 L HN -0.157 nan 8.230 nan 0.000 0.559 194 E N -0.147 120.094 120.200 0.070 0.000 2.343 194 E HA 0.083 4.434 4.350 0.000 0.000 0.269 194 E C 0.866 177.521 176.600 0.093 0.000 1.047 194 E CA -0.174 56.256 56.400 0.050 0.000 0.874 194 E CB 0.621 30.340 29.700 0.032 0.000 1.033 194 E HN 0.383 nan 8.360 nan 0.000 0.409 195 I N 3.884 124.491 120.570 0.061 0.000 2.143 195 I HA -0.258 3.912 4.170 0.000 0.000 0.245 195 I C 1.666 177.865 176.117 0.137 0.000 1.068 195 I CA 2.676 64.035 61.300 0.098 0.000 1.326 195 I CB -0.671 37.358 38.000 0.047 0.000 1.028 195 I HN 0.692 nan 8.210 nan 0.000 0.412 196 G N -1.074 107.779 108.800 0.087 0.000 2.421 196 G HA2 -0.277 3.684 3.960 0.000 0.000 0.216 196 G HA3 -0.277 3.684 3.960 0.000 0.000 0.216 196 G C 1.578 176.528 174.900 0.083 0.000 1.171 196 G CA 0.852 45.997 45.100 0.075 0.000 0.775 196 G HN 0.550 nan 8.290 nan 0.000 0.543 197 Q N -0.959 118.891 119.800 0.084 0.000 2.172 197 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 197 Q C 2.198 178.252 176.000 0.091 0.000 0.964 197 Q CA 1.155 57.001 55.803 0.071 0.000 0.855 197 Q CB -0.161 28.612 28.738 0.059 0.000 0.918 197 Q HN 0.760 nan 8.270 nan 0.000 0.444 198 H N 0.984 120.086 119.070 0.053 0.000 2.267 198 H HA -0.061 4.495 4.556 0.000 0.000 0.297 198 H C 2.008 177.382 175.328 0.077 0.000 1.080 198 H CA 1.821 57.910 56.048 0.068 0.000 1.278 198 H CB 0.231 30.034 29.762 0.069 0.000 1.365 198 H HN 0.006 nan 8.280 nan 0.000 0.489 199 R N -0.590 120.018 120.500 0.180 0.000 2.103 199 R HA -0.142 4.198 4.340 0.000 0.000 0.242 199 R C 2.335 178.654 176.300 0.033 0.000 1.142 199 R CA 1.958 58.127 56.100 0.115 0.000 0.960 199 R CB -0.699 29.680 30.300 0.132 0.000 0.858 199 R HN 0.444 nan 8.270 nan 0.000 0.439 200 T N 1.366 115.943 114.554 0.039 0.000 2.684 200 T HA -0.104 4.246 4.350 0.000 0.000 0.267 200 T C 1.752 176.469 174.700 0.030 0.000 1.036 200 T CA 1.052 63.170 62.100 0.031 0.000 1.148 200 T CB -0.041 68.846 68.868 0.032 0.000 0.863 200 T HN 0.104 nan 8.240 nan 0.000 0.436 201 K N 0.743 121.149 120.400 0.011 0.000 2.147 201 K HA 0.043 4.363 4.320 0.000 0.000 0.205 201 K C 2.148 178.817 176.600 0.115 0.000 1.049 201 K CA 0.642 56.969 56.287 0.067 0.000 0.936 201 K CB -0.443 32.080 32.500 0.038 0.000 0.722 201 K HN 0.318 nan 8.250 nan 0.000 0.446 202 I N 1.203 121.754 120.570 -0.032 0.000 2.202 202 I HA -0.179 3.991 4.170 0.000 0.000 0.242 202 I C 2.198 178.323 176.117 0.012 0.000 1.091 202 I CA 1.104 62.376 61.300 -0.047 0.000 1.368 202 I CB -0.881 37.076 38.000 -0.073 0.000 1.058 202 I HN 0.136 nan 8.210 nan 0.000 0.410 203 E N 0.995 121.212 120.200 0.028 0.000 2.153 203 E HA -0.211 4.139 4.350 0.000 0.000 0.194 203 E C 2.059 178.706 176.600 0.077 0.000 0.988 203 E CA 1.045 57.467 56.400 0.037 0.000 0.811 203 E CB 0.034 29.753 29.700 0.032 0.000 0.746 203 E HN 0.516 nan 8.360 nan 0.000 0.466 204 E N -0.045 120.232 120.200 0.127 0.000 2.107 204 E HA -0.077 4.274 4.350 0.000 0.000 0.191 204 E C 2.247 179.048 176.600 0.335 0.000 0.982 204 E CA 0.274 56.795 56.400 0.202 0.000 0.809 204 E CB -0.000 29.814 29.700 0.189 0.000 0.756 204 E HN 0.191 nan 8.360 nan 0.000 0.459 205 L N 0.819 122.226 121.223 0.305 0.000 2.027 205 L HA -0.192 4.148 4.340 0.000 0.000 0.206 205 L C 2.445 179.320 176.870 0.008 0.000 1.074 205 L CA 1.208 56.065 54.840 0.029 0.000 0.745 205 L CB -0.051 41.774 42.059 -0.390 0.000 0.898 205 L HN 0.047 nan 8.230 nan 0.000 0.433 206 R N -0.778 119.725 120.500 0.005 0.000 2.094 206 R HA -0.230 4.111 4.340 0.000 0.000 0.239 206 R C 2.309 178.647 176.300 0.063 0.000 1.137 206 R CA 1.752 57.852 56.100 0.000 0.000 0.943 206 R CB -0.441 29.854 30.300 -0.009 0.000 0.850 206 R HN 0.408 nan 8.270 nan 0.000 0.433 207 Q N -0.062 119.801 119.800 0.104 0.000 2.014 207 Q HA -0.254 4.086 4.340 0.000 0.000 0.207 207 Q C 2.077 178.213 176.000 0.227 0.000 0.993 207 Q CA 1.919 57.804 55.803 0.137 0.000 0.850 207 Q CB -0.910 27.903 28.738 0.124 0.000 0.916 207 Q HN 0.639 nan 8.270 nan 0.000 0.417 208 H N 0.098 119.262 119.070 0.156 0.000 2.362 208 H HA -0.158 4.398 4.556 0.000 0.000 0.294 208 H C 2.146 177.595 175.328 0.203 0.000 1.113 208 H CA 1.435 57.609 56.048 0.211 0.000 1.253 208 H CB 0.008 29.922 29.762 0.253 0.000 1.363 208 H HN 0.130 nan 8.280 nan 0.000 0.494 209 L N 0.138 121.493 121.223 0.220 0.000 2.046 209 L HA -0.209 4.131 4.340 0.000 0.000 0.208 209 L C 2.670 179.674 176.870 0.223 0.000 1.077 209 L CA 0.910 55.818 54.840 0.114 0.000 0.747 209 L CB -0.364 41.684 42.059 -0.018 0.000 0.896 209 L HN 0.342 nan 8.230 nan 0.000 0.432 210 L N -0.583 120.748 121.223 0.180 0.000 2.042 210 L HA -0.243 4.098 4.340 0.000 0.000 0.210 210 L C 2.847 179.827 176.870 0.185 0.000 1.076 210 L CA 1.151 56.080 54.840 0.148 0.000 0.749 210 L CB -0.637 41.481 42.059 0.099 0.000 0.893 210 L HN 0.285 nan 8.230 nan 0.000 0.432 211 R N -0.123 120.529 120.500 0.253 0.000 2.159 211 R HA -0.186 4.154 4.340 0.000 0.000 0.237 211 R C 0.539 176.900 176.300 0.103 0.000 1.131 211 R CA 1.257 57.454 56.100 0.161 0.000 0.982 211 R CB -0.084 30.314 30.300 0.163 0.000 0.868 211 R HN 0.353 nan 8.270 nan 0.000 0.453 212 W N 0.398 121.755 121.300 0.097 0.000 2.824 212 W HA 0.352 5.013 4.660 0.000 0.000 0.435 212 W C 1.093 177.657 176.519 0.074 0.000 0.765 212 W CA 0.063 57.461 57.345 0.089 0.000 2.346 212 W CB -0.028 29.497 29.460 0.107 0.000 1.275 212 W HN 0.235 nan 8.180 nan 0.000 0.831 213 G N 0.520 109.439 108.800 0.199 0.000 2.219 213 G HA2 -0.345 3.615 3.960 0.000 0.000 0.271 213 G HA3 -0.345 3.615 3.960 0.000 0.000 0.271 213 G C 0.253 175.225 174.900 0.120 0.000 0.991 213 G CA 0.328 45.509 45.100 0.136 0.000 0.685 213 G HN 0.315 nan 8.290 nan 0.000 0.531 214 L N 0.909 122.212 121.223 0.134 0.000 2.326 214 L HA 0.483 4.823 4.340 0.000 0.000 0.278 214 L C 0.334 177.212 176.870 0.014 0.000 1.092 214 L CA -0.419 54.453 54.840 0.053 0.000 0.810 214 L CB 1.398 43.481 42.059 0.040 0.000 1.153 214 L HN 0.036 nan 8.230 nan 0.000 0.439 215 T N 0.808 115.344 114.554 -0.030 0.000 2.771 215 T HA 0.339 4.690 4.350 0.000 0.000 0.281 215 T C 0.026 174.680 174.700 -0.078 0.000 0.982 215 T CA -0.420 61.659 62.100 -0.035 0.000 0.978 215 T CB 1.354 70.211 68.868 -0.017 0.000 0.930 215 T HN 0.485 nan 8.240 nan 0.000 0.447 216 T N 5.805 120.319 114.554 -0.067 0.000 2.893 216 T HA 0.382 4.732 4.350 0.000 0.000 0.324 216 T C -2.176 172.477 174.700 -0.078 0.000 1.082 216 T CA -1.217 60.829 62.100 -0.091 0.000 0.983 216 T CB 0.628 69.443 68.868 -0.089 0.000 1.005 216 T HN 0.431 nan 8.240 nan 0.000 0.475 217 P HA 0.259 nan 4.420 nan 0.000 0.261 217 P C -0.352 176.899 177.300 -0.082 0.000 1.173 217 P CA 0.234 63.291 63.100 -0.072 0.000 0.760 217 P CB 0.222 31.876 31.700 -0.077 0.000 0.783 218 D N 0.776 121.134 120.400 -0.069 0.000 2.269 218 D HA 0.599 5.239 4.640 0.000 0.000 0.244 218 D C 0.109 176.364 176.300 -0.076 0.000 0.992 218 D CA -0.508 53.448 54.000 -0.073 0.000 0.894 218 D CB 1.064 41.832 40.800 -0.053 0.000 1.248 218 D HN 0.635 nan 8.370 nan 0.000 0.468 219 K N -0.803 119.545 120.400 -0.085 0.000 2.123 219 K HA 0.761 5.081 4.320 0.000 0.000 0.248 219 K C 1.200 177.761 176.600 -0.066 0.000 0.969 219 K CA 0.096 56.331 56.287 -0.087 0.000 0.882 219 K CB 0.476 32.908 32.500 -0.114 0.000 1.080 219 K HN 1.059 nan 8.250 nan 0.000 0.441 220 K N -0.479 119.885 120.400 -0.061 0.000 2.525 220 K HA 0.257 4.577 4.320 0.000 0.000 0.192 220 K C 1.288 177.864 176.600 -0.041 0.000 1.029 220 K CA 2.266 58.525 56.287 -0.046 0.000 1.029 220 K CB -1.806 30.667 32.500 -0.045 0.000 0.814 220 K HN 2.463 nan 8.250 nan 0.000 0.503 221 H N -3.790 115.251 119.070 -0.048 0.000 2.820 221 H HA 0.230 4.786 4.556 0.000 0.000 0.295 221 H C 1.194 176.506 175.328 -0.027 0.000 1.187 221 H CA 1.733 57.758 56.048 -0.039 0.000 1.144 221 H CB -2.826 26.917 29.762 -0.032 0.000 1.354 221 H HN 2.488 nan 8.280 nan 0.000 0.395 232 Y N 2.997 123.310 120.300 0.023 0.000 1.974 232 Y HA -0.026 4.524 4.550 0.000 0.000 0.255 232 Y C 1.693 177.567 175.900 -0.044 0.000 1.125 232 Y CA 2.308 60.407 58.100 -0.002 0.000 1.085 232 Y CB -0.814 37.644 38.460 -0.003 0.000 0.957 232 Y HN 0.502 nan 8.280 nan 0.000 0.484 233 E N 2.211 122.039 120.200 -0.620 0.000 2.696 233 E HA -0.128 4.222 4.350 0.000 0.000 0.270 233 E C -0.636 175.492 176.600 -0.786 0.000 0.958 233 E CA 0.139 56.093 56.400 -0.744 0.000 0.964 233 E CB 0.068 29.595 29.700 -0.288 0.000 0.948 233 E HN 0.395 nan 8.360 nan 0.000 0.472 234 L N 3.139 123.990 121.223 -0.619 0.000 2.397 234 L HA 0.125 4.465 4.340 0.000 0.000 0.271 234 L C 0.582 177.017 176.870 -0.726 0.000 1.148 234 L CA 0.261 54.824 54.840 -0.462 0.000 0.825 234 L CB 0.226 42.233 42.059 -0.088 0.000 1.117 234 L HN 0.403 nan 8.230 nan 0.000 0.456 235 H N 3.006 121.843 119.070 -0.388 0.000 2.736 235 H HA 0.249 4.805 4.556 0.000 0.000 0.271 235 H C -1.991 172.779 175.328 -0.931 0.000 1.184 235 H CA -2.064 53.686 56.048 -0.496 0.000 1.378 235 H CB 0.839 30.414 29.762 -0.311 0.000 1.428 235 H HN 0.388 nan 8.280 nan 0.000 0.500 236 P HA -0.050 nan 4.420 nan 0.000 0.288 236 P C 0.488 177.425 177.300 -0.605 0.000 1.448 236 P CA 0.890 63.172 63.100 -1.362 0.000 0.764 236 P CB 0.340 31.544 31.700 -0.826 0.000 1.472 237 D N -1.336 118.797 120.400 -0.445 0.000 2.597 237 D HA 0.022 4.662 4.640 0.000 0.000 0.261 237 D C 1.360 177.604 176.300 -0.093 0.000 1.023 237 D CA 0.361 54.247 54.000 -0.190 0.000 0.927 237 D CB 0.052 40.761 40.800 -0.151 0.000 1.168 237 D HN 0.147 nan 8.370 nan 0.000 0.491 238 K N 0.169 120.506 120.400 -0.104 0.000 2.525 238 K HA -0.027 4.293 4.320 0.000 0.000 0.192 238 K C -0.252 176.466 176.600 0.196 0.000 1.029 238 K CA -0.010 56.296 56.287 0.031 0.000 1.029 238 K CB 0.213 32.737 32.500 0.039 0.000 0.814 238 K HN -0.050 nan 8.250 nan 0.000 0.503 239 W N 1.950 123.262 121.300 0.020 0.000 2.416 239 W HA 0.166 4.827 4.660 0.000 0.000 0.318 239 W C -0.481 176.045 176.519 0.012 0.000 1.150 239 W CA -0.708 56.648 57.345 0.019 0.000 1.392 239 W CB 0.024 29.484 29.460 0.001 0.000 1.311 239 W HN -0.139 nan 8.180 nan 0.000 0.436 240 T N 0.870 115.554 114.554 0.217 0.000 2.841 240 T HA 0.444 4.794 4.350 0.000 0.000 0.283 240 T C -0.383 174.370 174.700 0.088 0.000 1.000 240 T CA -0.827 61.350 62.100 0.129 0.000 0.977 240 T CB 2.104 71.030 68.868 0.097 0.000 0.979 240 T HN -0.047 nan 8.240 nan 0.000 0.446 241 V N 3.980 123.936 119.914 0.070 0.000 2.372 241 V HA 0.263 4.383 4.120 0.000 0.000 0.261 241 V C -0.070 176.057 176.094 0.055 0.000 1.055 241 V CA -0.703 61.623 62.300 0.042 0.000 0.930 241 V CB -0.245 31.607 31.823 0.048 0.000 1.031 241 V HN 0.923 nan 8.190 nan 0.000 0.479 242 Q N 7.022 126.848 119.800 0.044 0.000 2.340 242 Q HA 0.670 5.010 4.340 0.000 0.000 0.259 242 Q C -2.505 173.546 176.000 0.086 0.000 0.964 242 Q CA -1.660 54.181 55.803 0.064 0.000 0.900 242 Q CB 1.523 30.294 28.738 0.056 0.000 1.228 242 Q HN 0.482 nan 8.270 nan 0.000 0.449 243 P HA 0.344 nan 4.420 nan 0.000 0.286 243 P C -0.119 177.288 177.300 0.178 0.000 1.292 243 P CA -0.880 62.334 63.100 0.190 0.000 0.842 243 P CB 0.779 32.625 31.700 0.244 0.000 1.207 244 I N -1.360 119.340 120.570 0.217 0.000 3.017 244 I HA 0.024 4.194 4.170 0.000 0.000 0.310 244 I C -0.156 176.005 176.117 0.075 0.000 1.220 244 I CA 0.110 61.491 61.300 0.135 0.000 1.450 244 I CB -0.697 37.357 38.000 0.089 0.000 1.317 244 I HN 0.084 nan 8.210 nan 0.000 0.570 245 V N 7.589 127.538 119.914 0.058 0.000 2.447 245 V HA 0.382 4.502 4.120 0.000 0.000 0.292 245 V C -0.059 176.058 176.094 0.040 0.000 1.021 245 V CA -0.798 61.526 62.300 0.041 0.000 0.850 245 V CB 1.515 33.366 31.823 0.045 0.000 1.005 245 V HN 0.683 nan 8.190 nan 0.000 0.426 246 L N 10.036 131.282 121.223 0.039 0.000 2.500 246 L HA 0.314 4.654 4.340 0.000 0.000 0.272 246 L C -1.579 175.346 176.870 0.091 0.000 1.149 246 L CA -1.218 53.663 54.840 0.068 0.000 0.897 246 L CB 0.463 42.562 42.059 0.067 0.000 1.178 246 L HN 0.522 nan 8.230 nan 0.000 0.473 247 P HA -0.055 nan 4.420 nan 0.000 0.266 247 P C -0.777 176.575 177.300 0.085 0.000 1.193 247 P CA 0.005 63.130 63.100 0.042 0.000 0.770 247 P CB 0.851 32.541 31.700 -0.017 0.000 0.836 248 E N 2.082 122.297 120.200 0.024 0.000 2.191 248 E HA 0.278 4.628 4.350 0.000 0.000 0.263 248 E C -0.785 175.766 176.600 -0.082 0.000 0.881 248 E CA -0.815 55.628 56.400 0.071 0.000 0.757 248 E CB 0.824 30.581 29.700 0.095 0.000 1.147 248 E HN 0.236 nan 8.360 nan 0.000 0.414 249 K N 3.168 123.438 120.400 -0.217 0.000 2.400 249 K HA 0.274 4.594 4.320 0.000 0.000 0.246 249 K C -0.059 176.436 176.600 -0.175 0.000 0.995 249 K CA -0.733 55.338 56.287 -0.359 0.000 0.840 249 K CB 1.288 33.323 32.500 -0.775 0.000 1.293 249 K HN 0.466 nan 8.250 nan 0.000 0.445 250 D N 0.698 121.020 120.400 -0.131 0.000 2.075 250 D HA -0.099 4.541 4.640 0.000 0.000 0.196 250 D C 0.902 177.231 176.300 0.048 0.000 0.985 250 D CA 1.482 55.477 54.000 -0.009 0.000 0.834 250 D CB 0.072 40.859 40.800 -0.022 0.000 0.987 250 D HN 0.555 nan 8.370 nan 0.000 0.452 251 S N -1.201 114.469 115.700 -0.050 0.000 2.718 251 S HA 0.550 5.020 4.470 0.000 0.000 0.300 251 S C -1.103 173.448 174.600 -0.081 0.000 1.117 251 S CA -0.845 57.388 58.200 0.055 0.000 1.002 251 S CB 1.505 64.720 63.200 0.025 0.000 1.092 251 S HN 0.232 nan 8.310 nan 0.000 0.542 252 W N -0.100 121.197 121.300 -0.004 0.000 3.138 252 W HA 0.574 5.234 4.660 0.000 0.000 0.331 252 W C -0.164 176.353 176.519 -0.004 0.000 1.166 252 W CA -0.449 56.893 57.345 -0.005 0.000 1.212 252 W CB 1.830 31.287 29.460 -0.006 0.000 1.399 252 W HN 0.985 nan 8.180 nan 0.000 0.514 253 T N -2.203 112.478 114.554 0.213 0.000 2.950 253 T HA 0.455 4.805 4.350 0.000 0.000 0.288 253 T C 0.570 175.353 174.700 0.138 0.000 1.035 253 T CA -0.693 61.484 62.100 0.127 0.000 1.028 253 T CB 1.392 70.296 68.868 0.061 0.000 1.109 253 T HN 0.194 nan 8.240 nan 0.000 0.514 254 V N 1.796 121.763 119.914 0.088 0.000 2.252 254 V HA -0.232 3.889 4.120 0.000 0.000 0.249 254 V C 2.829 178.968 176.094 0.074 0.000 1.056 254 V CA 2.524 64.867 62.300 0.071 0.000 1.022 254 V CB -1.321 30.528 31.823 0.043 0.000 0.641 254 V HN 1.045 nan 8.190 nan 0.000 0.445 255 N N -0.022 118.714 118.700 0.060 0.000 2.037 255 N HA -0.284 4.456 4.740 0.000 0.000 0.196 255 N C 1.508 177.064 175.510 0.077 0.000 1.034 255 N CA 2.102 55.182 53.050 0.051 0.000 0.861 255 N CB -0.110 38.397 38.487 0.033 0.000 1.039 255 N HN 0.549 nan 8.380 nan 0.000 0.427 256 D N 0.784 121.249 120.400 0.107 0.000 2.106 256 D HA -0.155 4.485 4.640 0.000 0.000 0.191 256 D C 2.024 178.487 176.300 0.272 0.000 0.997 256 D CA 1.021 55.125 54.000 0.174 0.000 0.834 256 D CB -0.339 40.576 40.800 0.193 0.000 0.956 256 D HN 0.346 nan 8.370 nan 0.000 0.448 257 I N 0.869 121.599 120.570 0.267 0.000 2.264 257 I HA -0.234 3.936 4.170 0.000 0.000 0.248 257 I C 2.200 178.369 176.117 0.086 0.000 1.111 257 I CA 1.238 62.630 61.300 0.153 0.000 1.382 257 I CB -1.252 36.781 38.000 0.056 0.000 1.060 257 I HN 0.176 nan 8.210 nan 0.000 0.418 258 Q N 1.069 120.913 119.800 0.074 0.000 1.975 258 Q HA -0.221 4.119 4.340 0.000 0.000 0.205 258 Q C 2.311 178.341 176.000 0.051 0.000 0.990 258 Q CA 1.656 57.486 55.803 0.045 0.000 0.845 258 Q CB -0.234 28.526 28.738 0.036 0.000 0.913 258 Q HN 0.468 nan 8.270 nan 0.000 0.420 259 K N 0.439 120.877 120.400 0.063 0.000 2.034 259 K HA -0.231 4.089 4.320 0.000 0.000 0.214 259 K C 2.142 178.785 176.600 0.072 0.000 1.051 259 K CA 1.418 57.740 56.287 0.058 0.000 0.931 259 K CB -0.401 32.134 32.500 0.059 0.000 0.715 259 K HN 0.066 nan 8.250 nan 0.000 0.446 260 L N 1.057 122.351 121.223 0.118 0.000 1.990 260 L HA -0.220 4.120 4.340 0.000 0.000 0.213 260 L C 2.057 178.959 176.870 0.054 0.000 1.072 260 L CA 1.615 56.526 54.840 0.118 0.000 0.755 260 L CB -0.446 41.715 42.059 0.169 0.000 0.889 260 L HN -0.038 nan 8.230 nan 0.000 0.432 261 V N 0.168 120.101 119.914 0.032 0.000 2.688 261 V HA -0.233 3.887 4.120 0.000 0.000 0.256 261 V C 2.504 178.612 176.094 0.024 0.000 1.084 261 V CA 1.496 63.802 62.300 0.010 0.000 1.103 261 V CB -1.774 30.048 31.823 -0.001 0.000 0.688 261 V HN 0.678 nan 8.190 nan 0.000 0.480 262 G N 0.038 108.857 108.800 0.032 0.000 2.604 262 G HA2 -0.248 3.713 3.960 0.000 0.000 0.216 262 G HA3 -0.248 3.713 3.960 0.000 0.000 0.216 262 G C 1.581 176.517 174.900 0.060 0.000 1.265 262 G CA 0.969 46.089 45.100 0.033 0.000 0.804 262 G HN 0.425 nan 8.290 nan 0.000 0.579 263 K N -0.056 120.373 120.400 0.048 0.000 2.015 263 K HA -0.120 4.200 4.320 0.000 0.000 0.216 263 K C 2.628 179.283 176.600 0.093 0.000 1.052 263 K CA 1.562 57.890 56.287 0.069 0.000 0.937 263 K CB -0.581 31.947 32.500 0.046 0.000 0.719 263 K HN 0.257 nan 8.250 nan 0.000 0.446 264 L N 0.958 122.209 121.223 0.046 0.000 2.051 264 L HA -0.303 4.037 4.340 0.000 0.000 0.214 264 L C 2.380 179.260 176.870 0.018 0.000 1.076 264 L CA 1.569 56.417 54.840 0.014 0.000 0.758 264 L CB -0.681 41.371 42.059 -0.013 0.000 0.890 264 L HN 0.339 nan 8.230 nan 0.000 0.433 265 N N -0.676 118.042 118.700 0.031 0.000 2.084 265 N HA -0.244 4.496 4.740 0.000 0.000 0.190 265 N C 1.661 177.172 175.510 0.001 0.000 1.030 265 N CA 1.437 54.490 53.050 0.005 0.000 0.849 265 N CB -0.339 38.157 38.487 0.014 0.000 1.012 265 N HN 0.265 nan 8.380 nan 0.000 0.423 266 W N 1.139 122.367 121.300 -0.119 0.000 2.338 266 W HA -0.006 4.654 4.660 0.000 0.000 0.304 266 W C 2.445 178.872 176.519 -0.154 0.000 1.212 266 W CA 2.253 59.509 57.345 -0.149 0.000 1.264 266 W CB -0.715 28.668 29.460 -0.129 0.000 1.142 266 W HN 0.221 nan 8.180 nan 0.000 0.512 267 A N -0.106 122.805 122.820 0.152 0.000 1.908 267 A HA -0.276 4.044 4.320 0.000 0.000 0.218 267 A C 2.043 179.633 177.584 0.010 0.000 1.181 267 A CA 2.681 54.789 52.037 0.117 0.000 0.627 267 A CB -1.598 17.453 19.000 0.084 0.000 0.818 267 A HN 0.324 nan 8.150 nan 0.000 0.445 268 S N -0.294 115.366 115.700 -0.066 0.000 2.484 268 S HA -0.301 4.169 4.470 0.000 0.000 0.250 268 S C 1.712 176.173 174.600 -0.232 0.000 0.995 268 S CA 1.678 59.813 58.200 -0.109 0.000 0.967 268 S CB -0.595 62.535 63.200 -0.117 0.000 0.752 268 S HN 0.738 nan 8.310 nan 0.000 0.517 269 Q N 0.021 119.557 119.800 -0.439 0.000 2.096 269 Q HA 0.081 4.421 4.340 0.000 0.000 0.197 269 Q C 2.032 177.645 176.000 -0.646 0.000 0.964 269 Q CA 1.087 56.378 55.803 -0.853 0.000 0.838 269 Q CB -0.162 27.510 28.738 -1.776 0.000 0.906 269 Q HN 0.505 nan 8.270 nan 0.000 0.444 270 I N -0.014 120.341 120.570 -0.359 0.000 2.130 270 I HA -0.152 4.019 4.170 0.000 0.000 0.234 270 I C 0.601 176.573 176.117 -0.241 0.000 1.067 270 I CA 1.235 62.407 61.300 -0.214 0.000 1.339 270 I CB -0.884 37.026 38.000 -0.149 0.000 1.073 270 I HN 0.052 nan 8.210 nan 0.000 0.405 271 Y N 2.047 122.270 120.300 -0.128 0.000 2.320 271 Y HA 0.311 4.861 4.550 0.000 0.000 0.334 271 Y C -1.512 174.309 175.900 -0.132 0.000 1.055 271 Y CA -3.122 54.899 58.100 -0.131 0.000 1.143 271 Y CB -0.341 38.060 38.460 -0.099 0.000 1.193 271 Y HN 0.105 nan 8.280 nan 0.000 0.477 272 P HA 0.035 nan 4.420 nan 0.000 0.245 272 P C 1.151 178.447 177.300 -0.007 0.000 1.206 272 P CA 0.782 63.869 63.100 -0.022 0.000 0.781 272 P CB 0.361 32.041 31.700 -0.034 0.000 0.994 273 G N 0.642 109.453 108.800 0.019 0.000 2.448 273 G HA2 -0.077 3.883 3.960 0.000 0.000 0.218 273 G HA3 -0.077 3.883 3.960 0.000 0.000 0.218 273 G C 0.661 175.545 174.900 -0.026 0.000 1.135 273 G CA 0.005 45.106 45.100 0.002 0.000 0.784 273 G HN 0.165 nan 8.290 nan 0.000 0.543 274 I N 0.956 121.502 120.570 -0.039 0.000 2.821 274 I HA 0.137 4.307 4.170 0.000 0.000 0.294 274 I C 0.130 176.216 176.117 -0.051 0.000 1.210 274 I CA 0.423 61.687 61.300 -0.061 0.000 1.430 274 I CB 0.858 38.818 38.000 -0.066 0.000 1.356 274 I HN -0.129 nan 8.210 nan 0.000 0.563 275 K N 4.164 124.533 120.400 -0.053 0.000 2.316 275 K HA 0.524 4.844 4.320 0.000 0.000 0.251 275 K C 0.095 176.663 176.600 -0.053 0.000 0.934 275 K CA -0.542 55.716 56.287 -0.049 0.000 0.802 275 K CB 2.135 34.609 32.500 -0.043 0.000 1.171 275 K HN 0.272 nan 8.250 nan 0.000 0.426 276 V N 3.952 123.836 119.914 -0.050 0.000 3.477 276 V HA 0.112 4.232 4.120 0.000 0.000 0.297 276 V C 1.723 177.786 176.094 -0.050 0.000 1.433 276 V CA 0.380 62.649 62.300 -0.051 0.000 1.052 276 V CB -0.204 31.593 31.823 -0.044 0.000 0.895 276 V HN 0.751 nan 8.190 nan 0.000 0.438 277 R N -0.057 120.415 120.500 -0.047 0.000 2.080 277 R HA -0.190 4.150 4.340 0.000 0.000 0.236 277 R C 2.022 178.293 176.300 -0.047 0.000 1.137 277 R CA 2.251 58.326 56.100 -0.042 0.000 0.943 277 R CB -0.207 30.070 30.300 -0.038 0.000 0.846 277 R HN 0.473 nan 8.270 nan 0.000 0.431 278 Q N 0.580 120.347 119.800 -0.054 0.000 2.083 278 Q HA -0.079 4.261 4.340 0.000 0.000 0.198 278 Q C 2.367 178.323 176.000 -0.073 0.000 0.969 278 Q CA 1.232 56.998 55.803 -0.060 0.000 0.838 278 Q CB -0.200 28.499 28.738 -0.065 0.000 0.900 278 Q HN 0.440 nan 8.270 nan 0.000 0.436 279 L N 0.430 121.601 121.223 -0.086 0.000 2.083 279 L HA -0.157 4.183 4.340 0.000 0.000 0.209 279 L C 2.425 179.249 176.870 -0.078 0.000 1.083 279 L CA 0.843 55.619 54.840 -0.106 0.000 0.752 279 L CB -0.340 41.645 42.059 -0.123 0.000 0.899 279 L HN 0.105 nan 8.230 nan 0.000 0.433 280 S N -0.243 115.422 115.700 -0.058 0.000 2.370 280 S HA -0.226 4.244 4.470 0.000 0.000 0.226 280 S C 1.907 176.484 174.600 -0.038 0.000 1.033 280 S CA 1.316 59.491 58.200 -0.042 0.000 1.011 280 S CB -0.171 63.008 63.200 -0.035 0.000 0.852 280 S HN 0.345 nan 8.310 nan 0.000 0.457 281 K N 0.822 121.197 120.400 -0.042 0.000 2.211 281 K HA -0.045 4.275 4.320 0.000 0.000 0.204 281 K C 1.828 178.407 176.600 -0.036 0.000 1.047 281 K CA 0.898 57.163 56.287 -0.036 0.000 0.935 281 K CB -0.380 32.097 32.500 -0.038 0.000 0.728 281 K HN 0.360 nan 8.250 nan 0.000 0.452 282 L N 0.475 121.669 121.223 -0.047 0.000 2.131 282 L HA -0.160 4.180 4.340 0.000 0.000 0.210 282 L C 1.629 178.484 176.870 -0.025 0.000 1.092 282 L CA 0.968 55.781 54.840 -0.045 0.000 0.759 282 L CB -0.281 41.736 42.059 -0.070 0.000 0.903 282 L HN 0.182 nan 8.230 nan 0.000 0.435 283 L N -0.516 120.694 121.223 -0.022 0.000 2.728 283 L HA 0.141 4.481 4.340 0.000 0.000 0.235 283 L C 0.761 177.625 176.870 -0.010 0.000 1.197 283 L CA -0.357 54.477 54.840 -0.010 0.000 0.992 283 L CB -0.180 41.875 42.059 -0.006 0.000 1.263 283 L HN 0.063 nan 8.230 nan 0.000 0.484 284 R N 2.590 123.082 120.500 -0.014 0.000 2.630 284 R HA 0.289 4.629 4.340 0.000 0.000 0.286 284 R C 0.128 176.423 176.300 -0.008 0.000 1.391 284 R CA 0.457 56.550 56.100 -0.012 0.000 1.027 284 R CB -0.704 29.587 30.300 -0.015 0.000 1.099 284 R HN 0.418 nan 8.270 nan 0.000 0.525 285 G N 0.910 109.706 108.800 -0.006 0.000 2.627 285 G HA2 -0.223 3.737 3.960 0.000 0.000 0.680 285 G HA3 -0.223 3.737 3.960 0.000 0.000 0.680 285 G C -0.439 174.461 174.900 -0.001 0.000 1.341 285 G CA -0.442 44.656 45.100 -0.003 0.000 0.835 285 G HN 0.345 nan 8.290 nan 0.000 0.643 286 T N 1.022 115.576 114.554 0.000 0.000 2.775 286 T HA 0.510 4.861 4.350 0.000 0.000 0.281 286 T C 0.558 175.260 174.700 0.004 0.000 0.908 286 T CA 0.512 62.613 62.100 0.002 0.000 1.123 286 T CB -0.332 68.537 68.868 0.002 0.000 0.879 286 T HN 0.626 nan 8.240 nan 0.000 0.547 287 K N 2.870 123.274 120.400 0.006 0.000 2.316 287 K HA 0.790 5.110 4.320 0.000 0.000 0.234 287 K C 0.070 176.676 176.600 0.010 0.000 1.054 287 K CA -1.261 55.031 56.287 0.008 0.000 0.879 287 K CB 1.514 34.020 32.500 0.011 0.000 1.252 287 K HN 0.605 nan 8.250 nan 0.000 0.471 288 A N 0.636 123.463 122.820 0.011 0.000 2.313 288 A HA 0.191 4.511 4.320 0.000 0.000 0.261 288 A C 0.771 178.365 177.584 0.016 0.000 1.090 288 A CA -0.253 51.792 52.037 0.012 0.000 0.807 288 A CB 0.146 19.153 19.000 0.011 0.000 1.055 288 A HN 0.575 nan 8.150 nan 0.000 0.492 289 L N 0.912 122.145 121.223 0.015 0.000 2.023 289 L HA -0.075 4.266 4.340 0.000 0.000 0.205 289 L C 2.969 179.852 176.870 0.022 0.000 1.073 289 L CA 2.904 57.756 54.840 0.019 0.000 0.745 289 L CB -1.105 40.964 42.059 0.016 0.000 0.900 289 L HN 0.957 nan 8.230 nan 0.000 0.435 290 T N -3.028 111.535 114.554 0.016 0.000 2.962 290 T HA -0.162 4.189 4.350 0.000 0.000 0.270 290 T C 0.958 175.669 174.700 0.019 0.000 1.088 290 T CA 0.016 62.125 62.100 0.014 0.000 1.127 290 T CB -0.556 68.317 68.868 0.008 0.000 0.883 290 T HN 0.344 nan 8.240 nan 0.000 0.493 291 E N 1.464 121.677 120.200 0.021 0.000 2.529 291 E HA 0.120 4.470 4.350 0.000 0.000 0.259 291 E C -0.650 175.971 176.600 0.036 0.000 0.966 291 E CA -0.316 56.098 56.400 0.024 0.000 0.937 291 E CB 0.518 30.231 29.700 0.021 0.000 0.923 291 E HN 0.204 nan 8.360 nan 0.000 0.468 292 V N 5.989 125.925 119.914 0.037 0.000 2.649 292 V HA 0.197 4.317 4.120 0.000 0.000 0.292 292 V C 0.381 176.510 176.094 0.059 0.000 1.055 292 V CA -0.274 62.058 62.300 0.054 0.000 1.023 292 V CB 1.073 32.923 31.823 0.047 0.000 0.992 292 V HN 0.534 nan 8.190 nan 0.000 0.480 293 I N 5.556 126.178 120.570 0.088 0.000 2.533 293 I HA 0.459 4.630 4.170 0.000 0.000 0.290 293 I C -2.559 173.608 176.117 0.083 0.000 1.056 293 I CA -2.270 59.071 61.300 0.069 0.000 1.057 293 I CB 2.477 40.511 38.000 0.056 0.000 1.240 293 I HN 0.471 nan 8.210 nan 0.000 0.423 294 P HA 0.339 nan 4.420 nan 0.000 0.297 294 P C -0.870 176.417 177.300 -0.021 0.000 1.319 294 P CA -0.661 62.460 63.100 0.035 0.000 0.810 294 P CB 1.499 33.214 31.700 0.025 0.000 0.947 295 L N 3.729 124.914 121.223 -0.063 0.000 2.410 295 L HA 0.195 4.535 4.340 0.000 0.000 0.273 295 L C 1.799 178.613 176.870 -0.092 0.000 1.144 295 L CA 0.666 55.416 54.840 -0.150 0.000 0.863 295 L CB -0.154 41.733 42.059 -0.286 0.000 1.140 295 L HN 0.499 nan 8.230 nan 0.000 0.463 296 T N -0.966 113.534 114.554 -0.089 0.000 2.732 296 T HA 0.130 4.481 4.350 0.000 0.000 0.287 296 T C 1.073 175.737 174.700 -0.062 0.000 0.993 296 T CA -0.099 61.964 62.100 -0.061 0.000 0.966 296 T CB 0.579 69.414 68.868 -0.054 0.000 1.047 296 T HN 0.705 nan 8.240 nan 0.000 0.527 297 E N 0.256 120.430 120.200 -0.044 0.000 2.017 297 E HA -0.190 4.161 4.350 0.000 0.000 0.193 297 E C 2.056 178.628 176.600 -0.047 0.000 0.997 297 E CA 1.547 57.923 56.400 -0.039 0.000 0.804 297 E CB -0.154 29.529 29.700 -0.028 0.000 0.757 297 E HN 0.816 nan 8.360 nan 0.000 0.448 298 E N -0.145 120.027 120.200 -0.047 0.000 2.268 298 E HA -0.146 4.204 4.350 0.000 0.000 0.195 298 E C 1.838 178.398 176.600 -0.067 0.000 0.995 298 E CA 0.551 56.922 56.400 -0.050 0.000 0.836 298 E CB 0.016 29.690 29.700 -0.043 0.000 0.763 298 E HN 0.345 nan 8.360 nan 0.000 0.491 299 A N 1.658 124.427 122.820 -0.084 0.000 1.855 299 A HA -0.154 4.166 4.320 0.000 0.000 0.213 299 A C 2.047 179.548 177.584 -0.137 0.000 1.195 299 A CA 0.831 52.796 52.037 -0.120 0.000 0.610 299 A CB -0.175 18.739 19.000 -0.144 0.000 0.837 299 A HN 0.023 nan 8.150 nan 0.000 0.444 300 E N -0.355 119.770 120.200 -0.125 0.000 2.085 300 E HA -0.212 4.138 4.350 0.000 0.000 0.194 300 E C 1.967 178.519 176.600 -0.081 0.000 0.994 300 E CA 1.362 57.695 56.400 -0.113 0.000 0.801 300 E CB -0.458 29.197 29.700 -0.076 0.000 0.743 300 E HN 0.478 nan 8.360 nan 0.000 0.453 301 L N 1.612 122.796 121.223 -0.065 0.000 1.943 301 L HA -0.210 4.130 4.340 0.000 0.000 0.215 301 L C 2.424 179.260 176.870 -0.057 0.000 1.074 301 L CA 2.303 57.113 54.840 -0.049 0.000 0.759 301 L CB -0.762 41.272 42.059 -0.041 0.000 0.888 301 L HN 0.099 nan 8.230 nan 0.000 0.433 302 E N -0.520 119.641 120.200 -0.065 0.000 2.086 302 E HA -0.330 4.020 4.350 0.000 0.000 0.205 302 E C 2.301 178.854 176.600 -0.078 0.000 1.027 302 E CA 2.353 58.712 56.400 -0.069 0.000 0.830 302 E CB -0.488 29.166 29.700 -0.076 0.000 0.751 302 E HN 0.568 nan 8.360 nan 0.000 0.456 303 L N 0.344 121.505 121.223 -0.103 0.000 1.944 303 L HA -0.270 4.071 4.340 0.000 0.000 0.218 303 L C 2.520 179.351 176.870 -0.066 0.000 1.075 303 L CA 2.220 56.996 54.840 -0.108 0.000 0.767 303 L CB -0.536 41.425 42.059 -0.163 0.000 0.890 303 L HN 0.270 nan 8.230 nan 0.000 0.434 304 A N -0.863 121.925 122.820 -0.052 0.000 1.940 304 A HA -0.309 4.012 4.320 0.000 0.000 0.219 304 A C 2.168 179.732 177.584 -0.033 0.000 1.176 304 A CA 2.004 54.023 52.037 -0.029 0.000 0.631 304 A CB -0.786 18.203 19.000 -0.020 0.000 0.814 304 A HN 0.704 nan 8.150 nan 0.000 0.446 305 E N -0.133 120.043 120.200 -0.040 0.000 2.038 305 E HA -0.232 4.118 4.350 0.000 0.000 0.195 305 E C 1.873 178.444 176.600 -0.049 0.000 1.000 305 E CA 1.396 57.773 56.400 -0.038 0.000 0.803 305 E CB -0.130 29.547 29.700 -0.039 0.000 0.750 305 E HN 0.611 nan 8.360 nan 0.000 0.448 306 N N 0.549 119.212 118.700 -0.062 0.000 2.039 306 N HA -0.187 4.554 4.740 0.000 0.000 0.193 306 N C 1.865 177.318 175.510 -0.095 0.000 1.044 306 N CA 0.962 53.961 53.050 -0.085 0.000 0.847 306 N CB -0.470 37.966 38.487 -0.086 0.000 1.030 306 N HN 0.136 nan 8.380 nan 0.000 0.422 307 R N 1.157 121.618 120.500 -0.065 0.000 2.204 307 R HA -0.148 4.193 4.340 0.000 0.000 0.253 307 R C 1.571 177.839 176.300 -0.053 0.000 1.172 307 R CA 1.210 57.279 56.100 -0.050 0.000 0.994 307 R CB 0.128 30.419 30.300 -0.014 0.000 0.874 307 R HN 0.302 nan 8.270 nan 0.000 0.462 308 E N 0.259 120.431 120.200 -0.047 0.000 2.046 308 E HA -0.155 4.195 4.350 0.000 0.000 0.190 308 E C 2.063 178.634 176.600 -0.048 0.000 0.982 308 E CA 0.822 57.204 56.400 -0.031 0.000 0.800 308 E CB -0.097 29.593 29.700 -0.017 0.000 0.756 308 E HN 0.320 nan 8.360 nan 0.000 0.449 309 I N 1.509 122.028 120.570 -0.085 0.000 2.248 309 I HA -0.270 3.900 4.170 0.000 0.000 0.248 309 I C 2.348 178.322 176.117 -0.239 0.000 1.107 309 I CA 1.120 62.349 61.300 -0.119 0.000 1.373 309 I CB -1.162 36.741 38.000 -0.163 0.000 1.055 309 I HN 0.121 nan 8.210 nan 0.000 0.418 310 L N 0.203 121.223 121.223 -0.339 0.000 2.642 310 L HA -0.145 4.196 4.340 0.000 0.000 0.236 310 L C 2.263 179.097 176.870 -0.061 0.000 1.169 310 L CA 0.630 55.229 54.840 -0.403 0.000 0.851 310 L CB -0.578 41.321 42.059 -0.267 0.000 0.968 310 L HN 0.258 nan 8.230 nan 0.000 0.453 311 K N 0.280 120.682 120.400 0.004 0.000 2.141 311 K HA 0.025 4.345 4.320 0.000 0.000 0.202 311 K C 0.823 177.507 176.600 0.140 0.000 1.045 311 K CA 0.310 56.641 56.287 0.073 0.000 0.971 311 K CB 0.047 32.576 32.500 0.048 0.000 0.795 311 K HN 0.027 nan 8.250 nan 0.000 0.459 312 E N 3.141 123.437 120.200 0.159 0.000 2.166 312 E HA 0.122 4.473 4.350 0.000 0.000 0.279 312 E C -2.522 174.249 176.600 0.284 0.000 1.095 312 E CA -2.601 53.922 56.400 0.206 0.000 0.888 312 E CB 0.621 30.447 29.700 0.210 0.000 1.041 312 E HN -0.103 nan 8.360 nan 0.000 0.414 313 P HA -0.077 nan 4.420 nan 0.000 0.268 313 P C -0.188 177.135 177.300 0.039 0.000 1.208 313 P CA -0.290 62.890 63.100 0.133 0.000 0.777 313 P CB 0.598 32.364 31.700 0.110 0.000 0.875 314 V N 3.084 122.870 119.914 -0.213 0.000 3.803 314 V HA -0.075 4.045 4.120 0.000 0.000 0.300 314 V C -0.164 175.889 176.094 -0.068 0.000 1.111 314 V CA 0.471 62.559 62.300 -0.354 0.000 1.189 314 V CB -0.131 31.463 31.823 -0.380 0.000 1.118 314 V HN 0.553 nan 8.190 nan 0.000 0.486 315 H N 1.197 120.255 119.070 -0.020 0.000 2.547 315 H HA 0.625 5.181 4.556 0.000 0.000 0.342 315 H C 0.574 175.918 175.328 0.026 0.000 1.048 315 H CA -0.412 55.650 56.048 0.024 0.000 1.204 315 H CB 1.609 31.397 29.762 0.044 0.000 1.493 315 H HN 1.042 nan 8.280 nan 0.000 0.511 316 G N 1.827 110.734 108.800 0.178 0.000 2.183 316 G HA2 -0.263 3.698 3.960 0.000 0.000 0.168 316 G HA3 -0.263 3.698 3.960 0.000 0.000 0.168 316 G C 0.200 174.888 174.900 -0.353 0.000 1.008 316 G CA -0.008 45.165 45.100 0.121 0.000 0.677 316 G HN 0.689 nan 8.290 nan 0.000 0.498 317 V N 0.084 119.908 119.914 -0.150 0.000 2.071 317 V HA 0.656 4.777 4.120 0.000 0.000 0.254 317 V C 0.093 176.135 176.094 -0.088 0.000 1.456 317 V CA -1.010 61.173 62.300 -0.195 0.000 1.383 317 V CB -1.702 30.100 31.823 -0.034 0.000 1.433 317 V HN 0.761 nan 8.190 nan 0.000 0.499 318 Y N 1.575 121.927 120.300 0.087 0.000 2.342 318 Y HA 0.687 5.237 4.550 0.000 0.000 0.338 318 Y C -0.232 175.727 175.900 0.099 0.000 0.965 318 Y CA -2.869 55.291 58.100 0.099 0.000 1.159 318 Y CB 0.193 38.685 38.460 0.053 0.000 1.157 318 Y HN 0.425 nan 8.280 nan 0.000 0.486 319 Y N 3.335 123.737 120.300 0.170 0.000 2.702 319 Y HA 0.234 4.784 4.550 0.000 0.000 0.336 319 Y C -0.498 175.472 175.900 0.116 0.000 1.235 319 Y CA -0.045 58.102 58.100 0.078 0.000 1.492 319 Y CB 0.629 39.195 38.460 0.176 0.000 1.308 319 Y HN 0.824 nan 8.280 nan 0.000 0.589 320 D N 8.388 128.245 120.400 -0.906 0.000 2.421 320 D HA 0.284 4.924 4.640 0.000 0.000 0.254 320 D C -2.085 173.657 176.300 -0.930 0.000 1.238 320 D CA -2.375 51.205 54.000 -0.701 0.000 0.919 320 D CB 1.502 42.171 40.800 -0.218 0.000 1.152 320 D HN 0.350 nan 8.370 nan 0.000 0.552 321 P HA -0.205 nan 4.420 nan 0.000 0.219 321 P C 0.994 178.203 177.300 -0.151 0.000 1.144 321 P CA 0.893 63.786 63.100 -0.346 0.000 0.806 321 P CB 0.150 31.800 31.700 -0.083 0.000 0.771 322 S N -2.217 113.382 115.700 -0.170 0.000 2.603 322 S HA 0.064 4.534 4.470 0.000 0.000 0.220 322 S C 0.757 175.308 174.600 -0.083 0.000 0.967 322 S CA -0.114 58.029 58.200 -0.095 0.000 0.920 322 S CB -0.504 62.647 63.200 -0.081 0.000 0.773 322 S HN 0.158 nan 8.310 nan 0.000 0.529 323 K N 0.738 121.074 120.400 -0.107 0.000 2.281 323 K HA 0.477 4.797 4.320 0.000 0.000 0.242 323 K C -1.190 175.369 176.600 -0.069 0.000 0.971 323 K CA -0.966 55.272 56.287 -0.083 0.000 0.834 323 K CB 0.835 33.278 32.500 -0.094 0.000 1.181 323 K HN 0.018 nan 8.250 nan 0.000 0.435 324 D N 0.632 120.989 120.400 -0.071 0.000 2.384 324 D HA 0.184 4.824 4.640 0.000 0.000 0.244 324 D C -0.798 175.413 176.300 -0.147 0.000 1.251 324 D CA -0.109 53.842 54.000 -0.082 0.000 0.961 324 D CB 0.486 41.237 40.800 -0.081 0.000 1.116 324 D HN 0.050 nan 8.370 nan 0.000 0.484 325 L N 1.306 122.411 121.223 -0.195 0.000 2.349 325 L HA 0.347 4.687 4.340 0.000 0.000 0.278 325 L C -1.121 175.514 176.870 -0.392 0.000 0.996 325 L CA -0.458 54.185 54.840 -0.329 0.000 0.825 325 L CB 1.196 43.038 42.059 -0.360 0.000 1.243 325 L HN 0.200 nan 8.230 nan 0.000 0.412 326 I N 4.098 124.330 120.570 -0.563 0.000 2.354 326 I HA 0.604 4.775 4.170 0.000 0.000 0.292 326 I C 0.189 175.846 176.117 -0.767 0.000 0.989 326 I CA -0.562 60.322 61.300 -0.693 0.000 1.188 326 I CB 1.382 38.801 38.000 -0.969 0.000 1.342 326 I HN 0.659 nan 8.210 nan 0.000 0.457 327 A N 6.446 128.881 122.820 -0.641 0.000 2.331 327 A HA 0.687 5.007 4.320 0.000 0.000 0.320 327 A C -0.331 177.048 177.584 -0.341 0.000 1.138 327 A CA -0.588 51.096 52.037 -0.587 0.000 0.790 327 A CB 1.171 19.523 19.000 -1.081 0.000 1.206 327 A HN 0.747 nan 8.150 nan 0.000 0.470 328 E N 1.898 122.031 120.200 -0.111 0.000 2.199 328 E HA 0.499 4.849 4.350 0.000 0.000 0.269 328 E C -1.104 175.539 176.600 0.072 0.000 0.899 328 E CA -0.709 55.707 56.400 0.026 0.000 0.772 328 E CB 1.952 31.740 29.700 0.147 0.000 1.155 328 E HN 0.512 nan 8.360 nan 0.000 0.408 329 I N 2.245 122.878 120.570 0.105 0.000 2.474 329 I HA 0.302 4.472 4.170 0.000 0.000 0.294 329 I C -0.404 175.792 176.117 0.132 0.000 1.005 329 I CA -0.931 60.472 61.300 0.173 0.000 1.113 329 I CB 1.432 39.576 38.000 0.240 0.000 1.289 329 I HN 0.457 nan 8.210 nan 0.000 0.436 330 Q N 3.723 123.571 119.800 0.080 0.000 2.333 330 Q HA 0.365 4.705 4.340 0.000 0.000 0.267 330 Q C -0.399 175.551 176.000 -0.083 0.000 1.012 330 Q CA -0.515 55.248 55.803 -0.066 0.000 0.824 330 Q CB 2.412 30.988 28.738 -0.270 0.000 1.290 330 Q HN 0.380 nan 8.270 nan 0.000 0.449 331 K N 2.300 122.574 120.400 -0.210 0.000 2.310 331 K HA 0.091 4.412 4.320 0.000 0.000 0.290 331 K C 0.032 176.360 176.600 -0.454 0.000 1.077 331 K CA -0.046 55.884 56.287 -0.594 0.000 0.922 331 K CB 0.648 32.830 32.500 -0.529 0.000 1.057 331 K HN 0.515 nan 8.250 nan 0.000 0.479 332 Q N 2.570 122.070 119.800 -0.499 0.000 2.356 332 Q HA 0.122 4.462 4.340 0.000 0.000 0.205 332 Q C 0.653 176.487 176.000 -0.277 0.000 0.901 332 Q CA 0.573 56.198 55.803 -0.295 0.000 0.938 332 Q CB 0.702 29.326 28.738 -0.190 0.000 1.081 332 Q HN 1.012 nan 8.270 nan 0.000 0.517 333 G N 1.506 110.065 108.800 -0.402 0.000 2.888 333 G HA2 -0.341 3.619 3.960 0.000 0.000 0.441 333 G HA3 -0.341 3.619 3.960 0.000 0.000 0.441 333 G C -0.184 174.621 174.900 -0.158 0.000 1.461 333 G CA 0.092 45.039 45.100 -0.254 0.000 0.897 333 G HN 0.304 nan 8.290 nan 0.000 0.547 334 Q N -1.734 118.019 119.800 -0.079 0.000 2.416 334 Q HA -0.201 4.140 4.340 0.000 0.000 0.235 334 Q C 1.760 177.765 176.000 0.009 0.000 0.773 334 Q CA 2.264 58.049 55.803 -0.029 0.000 1.286 334 Q CB -1.701 27.018 28.738 -0.031 0.000 1.556 334 Q HN 2.909 nan 8.270 nan 0.000 0.650 335 G N 0.080 108.894 108.800 0.023 0.000 2.179 335 G HA2 -0.361 3.600 3.960 0.000 0.000 0.260 335 G HA3 -0.361 3.600 3.960 0.000 0.000 0.260 335 G C -0.117 174.925 174.900 0.238 0.000 0.977 335 G CA 0.665 45.869 45.100 0.175 0.000 0.641 335 G HN 0.372 nan 8.290 nan 0.000 0.533 336 Q N -0.541 119.281 119.800 0.037 0.000 2.235 336 Q HA 0.642 4.983 4.340 0.000 0.000 0.250 336 Q C -0.595 175.373 176.000 -0.053 0.000 0.909 336 Q CA -0.574 55.282 55.803 0.088 0.000 0.910 336 Q CB 0.569 29.312 28.738 0.008 0.000 1.223 336 Q HN 0.347 nan 8.270 nan 0.000 0.432 337 W N 0.969 122.353 121.300 0.140 0.000 3.029 337 W HA 0.664 5.325 4.660 0.000 0.000 0.339 337 W C -0.833 175.770 176.519 0.141 0.000 1.198 337 W CA -0.532 56.901 57.345 0.148 0.000 1.148 337 W CB 1.856 31.447 29.460 0.217 0.000 1.451 337 W HN 0.714 nan 8.180 nan 0.000 0.564 338 T N -0.684 114.060 114.554 0.318 0.000 2.900 338 T HA 0.786 5.136 4.350 0.000 0.000 0.303 338 T C -1.464 173.339 174.700 0.172 0.000 1.142 338 T CA -0.754 61.443 62.100 0.162 0.000 1.007 338 T CB 1.972 70.800 68.868 -0.066 0.000 1.156 338 T HN 0.649 nan 8.240 nan 0.000 0.490 339 Y N -0.529 119.702 120.300 -0.116 0.000 2.625 339 Y HA 0.855 5.405 4.550 0.000 0.000 0.338 339 Y C -1.608 174.168 175.900 -0.206 0.000 1.123 339 Y CA -1.367 56.646 58.100 -0.145 0.000 1.046 339 Y CB 1.325 39.742 38.460 -0.071 0.000 1.299 339 Y HN 0.715 nan 8.280 nan 0.000 0.464 340 Q N 1.815 121.539 119.800 -0.127 0.000 2.345 340 Q HA 0.725 5.065 4.340 0.000 0.000 0.275 340 Q C -1.597 174.420 176.000 0.029 0.000 1.063 340 Q CA -0.562 55.163 55.803 -0.130 0.000 0.819 340 Q CB 3.347 32.043 28.738 -0.070 0.000 1.356 340 Q HN 0.749 nan 8.270 nan 0.000 0.418 341 I N 2.962 123.544 120.570 0.020 0.000 2.436 341 I HA 0.606 4.776 4.170 0.000 0.000 0.289 341 I C -1.119 174.964 176.117 -0.056 0.000 1.010 341 I CA -1.031 60.210 61.300 -0.097 0.000 1.098 341 I CB 0.899 38.862 38.000 -0.061 0.000 1.266 341 I HN 0.680 nan 8.210 nan 0.000 0.434 342 Y N 3.037 123.224 120.300 -0.187 0.000 2.728 342 Y HA 0.513 5.063 4.550 0.000 0.000 0.330 342 Y C -0.179 175.590 175.900 -0.217 0.000 1.234 342 Y CA -0.869 57.118 58.100 -0.188 0.000 1.070 342 Y CB 1.133 39.514 38.460 -0.131 0.000 1.300 342 Y HN 0.415 nan 8.280 nan 0.000 0.467 343 Q N -0.536 119.290 119.800 0.042 0.000 2.404 343 Q HA 0.278 4.619 4.340 0.000 0.000 0.262 343 Q C -0.734 175.315 176.000 0.081 0.000 0.846 343 Q CA 0.193 55.970 55.803 -0.044 0.000 0.978 343 Q CB 1.253 29.922 28.738 -0.115 0.000 1.156 343 Q HN 0.594 nan 8.270 nan 0.000 0.548 344 E N 1.468 121.731 120.200 0.105 0.000 2.293 344 E HA 0.310 4.660 4.350 0.000 0.000 0.270 344 E C -2.655 173.852 176.600 -0.155 0.000 0.879 344 E CA -2.266 54.132 56.400 -0.003 0.000 0.756 344 E CB 1.976 31.638 29.700 -0.062 0.000 1.208 344 E HN -0.046 nan 8.360 nan 0.000 0.428 345 P HA -0.049 nan 4.420 nan 0.000 0.262 345 P C -0.176 176.732 177.300 -0.653 0.000 1.182 345 P CA 0.255 62.862 63.100 -0.821 0.000 0.761 345 P CB 0.141 31.319 31.700 -0.871 0.000 0.795 346 F N 0.137 119.872 119.950 -0.358 0.000 2.748 346 F HA -0.184 4.343 4.527 0.000 0.000 0.370 346 F C 0.759 176.437 175.800 -0.204 0.000 0.620 346 F CA 0.815 58.668 58.000 -0.245 0.000 1.233 346 F CB -2.008 36.850 39.000 -0.238 0.000 1.708 346 F HN 0.358 nan 8.300 nan 0.000 0.298 347 K N 1.605 121.958 120.400 -0.078 0.000 2.847 347 K HA 0.270 4.590 4.320 0.000 0.000 0.213 347 K C 0.102 176.684 176.600 -0.029 0.000 1.174 347 K CA -0.233 56.008 56.287 -0.077 0.000 1.095 347 K CB 0.003 32.434 32.500 -0.114 0.000 1.581 347 K HN 0.174 nan 8.250 nan 0.000 0.514 348 N N 1.481 120.184 118.700 0.005 0.000 2.407 348 N HA 0.000 4.740 4.740 0.000 0.000 0.250 348 N C 0.979 176.520 175.510 0.052 0.000 1.236 348 N CA 0.251 53.345 53.050 0.073 0.000 0.879 348 N CB 1.261 39.798 38.487 0.083 0.000 1.088 348 N HN 0.271 nan 8.380 nan 0.000 0.450 349 L N 0.849 122.117 121.223 0.075 0.000 2.556 349 L HA 0.205 4.546 4.340 0.000 0.000 0.226 349 L C 0.790 177.786 176.870 0.209 0.000 1.089 349 L CA 0.425 55.345 54.840 0.133 0.000 0.864 349 L CB 0.240 42.346 42.059 0.078 0.000 1.067 349 L HN 0.525 nan 8.230 nan 0.000 0.477 350 K N -0.239 120.240 120.400 0.132 0.000 2.625 350 K HA 0.326 4.646 4.320 0.000 0.000 0.284 350 K C -1.577 174.978 176.600 -0.074 0.000 0.984 350 K CA -0.365 55.963 56.287 0.068 0.000 0.865 350 K CB 2.093 34.673 32.500 0.134 0.000 1.468 350 K HN -0.131 nan 8.250 nan 0.000 0.407 351 T N -0.457 113.984 114.554 -0.188 0.000 3.548 351 T HA 0.603 4.953 4.350 0.000 0.000 0.329 351 T C -0.329 174.103 174.700 -0.447 0.000 0.960 351 T CA -0.514 61.357 62.100 -0.382 0.000 1.041 351 T CB 1.224 69.983 68.868 -0.181 0.000 1.065 351 T HN 0.687 nan 8.240 nan 0.000 0.459 352 G N 2.017 110.284 108.800 -0.888 0.000 3.222 352 G HA2 0.843 4.804 3.960 0.000 0.000 0.263 352 G HA3 0.843 4.804 3.960 0.000 0.000 0.263 352 G C -1.319 173.459 174.900 -0.204 0.000 1.312 352 G CA -1.097 43.744 45.100 -0.432 0.000 0.934 352 G HN 0.768 nan 8.290 nan 0.000 0.577 353 K N -1.846 118.651 120.400 0.161 0.000 2.197 353 K HA 0.592 4.912 4.320 0.000 0.000 0.247 353 K C -2.062 174.806 176.600 0.446 0.000 1.077 353 K CA -0.807 55.649 56.287 0.282 0.000 0.882 353 K CB 2.538 35.136 32.500 0.163 0.000 1.396 353 K HN 0.432 nan 8.250 nan 0.000 0.482 354 Y N 0.192 120.642 120.300 0.250 0.000 2.358 354 Y HA 0.466 5.016 4.550 0.000 0.000 0.324 354 Y C -1.295 174.737 175.900 0.219 0.000 1.123 354 Y CA -0.591 57.628 58.100 0.198 0.000 1.067 354 Y CB 1.314 39.860 38.460 0.145 0.000 1.230 354 Y HN 0.755 nan 8.280 nan 0.000 0.429 355 A N 5.773 128.376 122.820 -0.362 0.000 2.450 355 A HA 0.668 4.989 4.320 0.000 0.000 0.281 355 A C -0.158 177.245 177.584 -0.302 0.000 1.372 355 A CA -0.815 51.087 52.037 -0.224 0.000 0.886 355 A CB 0.536 19.448 19.000 -0.146 0.000 1.462 355 A HN 0.820 nan 8.150 nan 0.000 0.514 356 R N -0.645 119.778 120.500 -0.128 0.000 2.707 356 R HA 0.236 4.576 4.340 0.000 0.000 0.270 356 R C -0.529 175.704 176.300 -0.111 0.000 1.083 356 R CA -0.417 55.641 56.100 -0.070 0.000 1.182 356 R CB 0.188 30.478 30.300 -0.016 0.000 1.084 356 R HN 0.630 nan 8.270 nan 0.000 0.528 357 M N 2.520 122.084 119.600 -0.061 0.000 2.185 357 M HA 0.190 4.670 4.480 0.000 0.000 0.357 357 M C -0.024 176.241 176.300 -0.057 0.000 1.260 357 M CA 0.034 55.293 55.300 -0.068 0.000 1.124 357 M CB 0.910 33.462 32.600 -0.080 0.000 1.600 357 M HN 0.459 nan 8.290 nan 0.000 0.467 358 R N 1.057 121.526 120.500 -0.052 0.000 2.229 358 R HA 0.472 4.812 4.340 0.000 0.000 0.332 358 R C 0.694 176.970 176.300 -0.039 0.000 0.989 358 R CA 0.741 56.819 56.100 -0.036 0.000 0.842 358 R CB 0.453 30.739 30.300 -0.023 0.000 1.119 358 R HN 0.978 nan 8.270 nan 0.000 0.456 359 G N 2.000 110.778 108.800 -0.037 0.000 2.175 359 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 359 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 359 G C -0.214 174.646 174.900 -0.067 0.000 0.982 359 G CA 0.079 45.156 45.100 -0.038 0.000 0.641 359 G HN 0.879 nan 8.290 nan 0.000 0.527 360 A N -0.777 121.981 122.820 -0.103 0.000 2.486 360 A HA 0.954 5.274 4.320 0.000 0.000 0.277 360 A C -0.211 177.269 177.584 -0.174 0.000 1.282 360 A CA 0.198 52.103 52.037 -0.220 0.000 0.784 360 A CB 0.617 19.414 19.000 -0.337 0.000 1.350 360 A HN 1.509 nan 8.150 nan 0.000 0.454 361 H N -1.586 117.471 119.070 -0.022 0.000 2.630 361 H HA 0.683 5.239 4.556 0.000 0.000 0.343 361 H C -0.031 175.284 175.328 -0.022 0.000 1.232 361 H CA -0.162 55.874 56.048 -0.021 0.000 1.294 361 H CB 0.356 30.101 29.762 -0.027 0.000 1.746 361 H HN 0.500 nan 8.280 nan 0.000 0.593 362 T N -0.292 114.387 114.554 0.209 0.000 3.316 362 T HA 0.174 4.524 4.350 0.000 0.000 0.341 362 T C -0.192 174.591 174.700 0.138 0.000 1.397 362 T CA -1.001 61.189 62.100 0.150 0.000 1.085 362 T CB -0.957 67.974 68.868 0.104 0.000 1.160 362 T HN 0.654 nan 8.240 nan 0.000 0.694 363 N N 2.699 121.495 118.700 0.160 0.000 2.501 363 N HA 0.155 4.896 4.740 0.000 0.000 0.245 363 N C 0.504 176.049 175.510 0.058 0.000 0.974 363 N CA -0.306 52.765 53.050 0.034 0.000 0.941 363 N CB 1.515 39.965 38.487 -0.061 0.000 1.122 363 N HN 0.475 nan 8.380 nan 0.000 0.507 364 D N 2.841 123.310 120.400 0.115 0.000 2.303 364 D HA -0.237 4.403 4.640 0.000 0.000 0.190 364 D C 1.708 178.159 176.300 0.251 0.000 1.011 364 D CA 1.773 55.919 54.000 0.242 0.000 0.860 364 D CB 0.157 41.075 40.800 0.197 0.000 0.961 364 D HN 0.355 nan 8.370 nan 0.000 0.453 365 V N 0.259 120.276 119.914 0.171 0.000 2.220 365 V HA -0.292 3.828 4.120 0.000 0.000 0.246 365 V C 2.467 178.623 176.094 0.104 0.000 1.049 365 V CA 2.276 64.711 62.300 0.225 0.000 1.003 365 V CB -0.653 31.344 31.823 0.290 0.000 0.634 365 V HN 0.294 nan 8.190 nan 0.000 0.444 366 K N -0.454 119.843 120.400 -0.171 0.000 2.077 366 K HA -0.338 3.983 4.320 0.000 0.000 0.213 366 K C 2.261 178.760 176.600 -0.169 0.000 1.051 366 K CA 2.373 58.398 56.287 -0.435 0.000 0.929 366 K CB -0.242 31.749 32.500 -0.850 0.000 0.715 366 K HN 0.574 nan 8.250 nan 0.000 0.451 367 Q N 0.445 120.172 119.800 -0.121 0.000 2.045 367 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 367 Q C 2.309 177.995 176.000 -0.523 0.000 0.991 367 Q CA 1.932 57.616 55.803 -0.198 0.000 0.851 367 Q CB -0.208 28.509 28.738 -0.035 0.000 0.911 367 Q HN 0.399 nan 8.270 nan 0.000 0.418 368 L N 0.195 121.103 121.223 -0.525 0.000 1.990 368 L HA -0.259 4.082 4.340 0.000 0.000 0.213 368 L C 2.359 179.173 176.870 -0.093 0.000 1.072 368 L CA 1.641 56.200 54.840 -0.469 0.000 0.755 368 L CB -0.615 41.447 42.059 0.006 0.000 0.889 368 L HN 0.378 nan 8.230 nan 0.000 0.432 369 T N -0.536 114.123 114.554 0.175 0.000 2.624 369 T HA -0.260 4.090 4.350 0.000 0.000 0.268 369 T C 1.581 176.323 174.700 0.070 0.000 1.041 369 T CA 1.936 64.222 62.100 0.311 0.000 1.159 369 T CB -0.303 68.752 68.868 0.312 0.000 0.863 369 T HN 0.484 nan 8.240 nan 0.000 0.434 370 E N 1.299 121.437 120.200 -0.102 0.000 2.017 370 E HA -0.072 4.278 4.350 0.000 0.000 0.193 370 E C 2.717 179.051 176.600 -0.443 0.000 0.997 370 E CA 1.004 57.294 56.400 -0.182 0.000 0.804 370 E CB -0.379 29.291 29.700 -0.051 0.000 0.757 370 E HN 0.489 nan 8.360 nan 0.000 0.448 371 A N 1.542 123.829 122.820 -0.888 0.000 1.903 371 A HA -0.226 4.095 4.320 0.000 0.000 0.219 371 A C 2.621 179.892 177.584 -0.521 0.000 1.191 371 A CA 1.923 53.235 52.037 -1.208 0.000 0.638 371 A CB -1.080 17.197 19.000 -1.206 0.000 0.823 371 A HN 0.140 nan 8.150 nan 0.000 0.451 372 V N 0.039 119.812 119.914 -0.235 0.000 2.287 372 V HA -0.360 3.760 4.120 0.000 0.000 0.248 372 V C 2.678 178.773 176.094 0.003 0.000 1.053 372 V CA 2.381 64.652 62.300 -0.047 0.000 1.027 372 V CB -1.033 30.758 31.823 -0.053 0.000 0.646 372 V HN 0.682 nan 8.190 nan 0.000 0.447 373 Q N -0.451 119.337 119.800 -0.020 0.000 2.050 373 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 373 Q C 2.449 178.518 176.000 0.116 0.000 0.980 373 Q CA 1.208 57.064 55.803 0.087 0.000 0.840 373 Q CB -0.329 28.265 28.738 -0.239 0.000 0.898 373 Q HN 0.415 nan 8.270 nan 0.000 0.424 374 K N 1.188 121.551 120.400 -0.061 0.000 2.001 374 K HA -0.180 4.141 4.320 0.000 0.000 0.214 374 K C 2.015 178.538 176.600 -0.128 0.000 1.050 374 K CA 1.349 57.589 56.287 -0.078 0.000 0.934 374 K CB -0.350 32.056 32.500 -0.157 0.000 0.718 374 K HN 0.192 nan 8.250 nan 0.000 0.443 375 I N 1.226 121.665 120.570 -0.218 0.000 2.264 375 I HA -0.240 3.931 4.170 0.000 0.000 0.248 375 I C 2.204 178.293 176.117 -0.047 0.000 1.111 375 I CA 1.499 62.644 61.300 -0.257 0.000 1.382 375 I CB -1.983 35.845 38.000 -0.286 0.000 1.060 375 I HN 0.168 nan 8.210 nan 0.000 0.418 376 T N 0.966 115.586 114.554 0.109 0.000 2.674 376 T HA -0.158 4.192 4.350 0.000 0.000 0.265 376 T C 1.992 176.536 174.700 -0.259 0.000 1.039 376 T CA 2.378 64.447 62.100 -0.050 0.000 1.150 376 T CB -0.765 67.957 68.868 -0.242 0.000 0.864 376 T HN 0.585 nan 8.240 nan 0.000 0.427 377 T N 1.442 115.928 114.554 -0.114 0.000 2.684 377 T HA -0.148 4.203 4.350 0.000 0.000 0.267 377 T C 1.783 176.359 174.700 -0.207 0.000 1.036 377 T CA 1.419 63.474 62.100 -0.074 0.000 1.148 377 T CB -0.619 68.362 68.868 0.189 0.000 0.863 377 T HN 0.440 nan 8.240 nan 0.000 0.436 378 E N 1.118 121.175 120.200 -0.238 0.000 2.130 378 E HA -0.135 4.215 4.350 0.000 0.000 0.196 378 E C 2.572 178.952 176.600 -0.367 0.000 0.998 378 E CA 1.515 57.670 56.400 -0.409 0.000 0.806 378 E CB -0.222 29.183 29.700 -0.493 0.000 0.738 378 E HN 0.572 nan 8.360 nan 0.000 0.459 379 S N 0.453 116.010 115.700 -0.239 0.000 2.371 379 S HA -0.092 4.378 4.470 0.000 0.000 0.224 379 S C 2.012 176.430 174.600 -0.304 0.000 1.029 379 S CA 0.703 58.842 58.200 -0.100 0.000 0.978 379 S CB -0.117 63.054 63.200 -0.047 0.000 0.833 379 S HN 0.215 nan 8.310 nan 0.000 0.466 380 I N 1.355 121.645 120.570 -0.467 0.000 2.179 380 I HA -0.136 4.035 4.170 0.000 0.000 0.242 380 I C 2.143 177.856 176.117 -0.673 0.000 1.088 380 I CA 0.932 61.809 61.300 -0.705 0.000 1.357 380 I CB -0.704 36.771 38.000 -0.874 0.000 1.051 380 I HN 0.117 nan 8.210 nan 0.000 0.409 381 V N 1.046 120.641 119.914 -0.531 0.000 2.469 381 V HA -0.257 3.863 4.120 0.000 0.000 0.251 381 V C 2.151 178.026 176.094 -0.366 0.000 1.064 381 V CA 1.883 63.951 62.300 -0.387 0.000 1.066 381 V CB -0.426 31.308 31.823 -0.149 0.000 0.667 381 V HN 0.389 nan 8.190 nan 0.000 0.461 382 I N -2.683 117.497 120.570 -0.650 0.000 3.172 382 I HA 0.009 4.179 4.170 0.000 0.000 0.278 382 I C 1.779 177.178 176.117 -1.196 0.000 1.174 382 I CA 0.758 61.519 61.300 -0.898 0.000 1.445 382 I CB 0.179 37.354 38.000 -1.376 0.000 1.175 382 I HN 0.361 nan 8.210 nan 0.000 0.447 383 W N 0.236 121.027 121.300 -0.848 0.000 2.355 383 W HA 0.355 5.015 4.660 0.000 0.000 0.303 383 W C 1.279 177.300 176.519 -0.830 0.000 0.939 383 W CA 0.416 57.229 57.345 -0.886 0.000 1.377 383 W CB -0.150 28.777 29.460 -0.887 0.000 1.048 383 W HN 0.184 nan 8.180 nan 0.000 0.542 384 G N 2.747 111.074 108.800 -0.789 0.000 2.341 384 G HA2 -0.299 3.661 3.960 0.000 0.000 0.292 384 G HA3 -0.299 3.661 3.960 0.000 0.000 0.292 384 G C 0.165 174.940 174.900 -0.207 0.000 1.021 384 G CA 0.856 45.669 45.100 -0.479 0.000 0.905 384 G HN 0.102 nan 8.290 nan 0.000 0.508 385 K N -0.843 119.428 120.400 -0.215 0.000 2.482 385 K HA 0.563 4.883 4.320 0.000 0.000 0.257 385 K C -0.430 176.080 176.600 -0.149 0.000 0.969 385 K CA -0.680 55.556 56.287 -0.085 0.000 0.842 385 K CB 1.786 34.285 32.500 -0.002 0.000 1.359 385 K HN 0.072 nan 8.250 nan 0.000 0.441 386 T N 3.361 117.868 114.554 -0.078 0.000 2.795 386 T HA 0.354 4.704 4.350 0.000 0.000 0.282 386 T C -2.371 172.297 174.700 -0.052 0.000 0.980 386 T CA -1.475 60.575 62.100 -0.083 0.000 1.012 386 T CB 1.295 70.139 68.868 -0.040 0.000 0.936 386 T HN 0.316 nan 8.240 nan 0.000 0.457 387 P HA 0.227 nan 4.420 nan 0.000 0.278 387 P C -0.474 176.788 177.300 -0.063 0.000 1.238 387 P CA -0.702 62.271 63.100 -0.211 0.000 0.794 387 P CB 0.788 32.195 31.700 -0.488 0.000 0.955 388 K N 2.967 123.291 120.400 -0.127 0.000 2.349 388 K HA 0.224 4.544 4.320 0.000 0.000 0.289 388 K C -0.514 176.036 176.600 -0.083 0.000 1.064 388 K CA -0.353 55.919 56.287 -0.026 0.000 0.947 388 K CB -0.279 32.174 32.500 -0.078 0.000 1.007 388 K HN 0.322 nan 8.250 nan 0.000 0.478 389 F N 2.722 122.612 119.950 -0.100 0.000 2.412 389 F HA 0.212 4.739 4.527 0.000 0.000 0.348 389 F C 1.115 176.841 175.800 -0.124 0.000 1.102 389 F CA -0.241 57.700 58.000 -0.097 0.000 1.196 389 F CB 0.734 39.696 39.000 -0.063 0.000 1.144 389 F HN 0.152 nan 8.300 nan 0.000 0.541 390 K N 4.911 125.327 120.400 0.028 0.000 2.356 390 K HA 0.361 4.681 4.320 0.000 0.000 0.243 390 K C -0.915 175.699 176.600 0.022 0.000 1.072 390 K CA -0.274 56.017 56.287 0.008 0.000 1.014 390 K CB 0.479 33.003 32.500 0.041 0.000 1.523 390 K HN 0.506 nan 8.250 nan 0.000 0.455 391 L N 4.849 126.030 121.223 -0.071 0.000 2.360 391 L HA 0.167 4.507 4.340 0.000 0.000 0.276 391 L C -1.642 175.261 176.870 0.055 0.000 1.121 391 L CA -1.668 53.112 54.840 -0.101 0.000 0.845 391 L CB 0.233 42.004 42.059 -0.479 0.000 1.143 391 L HN 0.288 nan 8.230 nan 0.000 0.452 392 P HA 0.242 nan 4.420 nan 0.000 0.220 392 P C -0.537 176.861 177.300 0.162 0.000 1.806 392 P CA 0.299 63.489 63.100 0.150 0.000 0.976 392 P CB 0.374 32.178 31.700 0.174 0.000 1.952 393 I N -0.555 120.098 120.570 0.139 0.000 2.842 393 I HA 0.244 4.414 4.170 0.000 0.000 0.296 393 I C -1.389 174.731 176.117 0.005 0.000 1.538 393 I CA -1.022 60.352 61.300 0.122 0.000 0.994 393 I CB 2.604 40.724 38.000 0.200 0.000 1.372 393 I HN -0.220 nan 8.210 nan 0.000 0.478 394 Q N 4.417 124.194 119.800 -0.038 0.000 2.361 394 Q HA 0.058 4.398 4.340 0.000 0.000 0.276 394 Q C 1.024 176.726 176.000 -0.497 0.000 1.022 394 Q CA 0.633 56.328 55.803 -0.181 0.000 0.898 394 Q CB 1.141 29.832 28.738 -0.079 0.000 1.246 394 Q HN 0.568 nan 8.270 nan 0.000 0.410 395 K N 2.458 122.339 120.400 -0.866 0.000 2.034 395 K HA -0.324 3.996 4.320 0.000 0.000 0.214 395 K C 0.894 177.178 176.600 -0.528 0.000 1.051 395 K CA 2.206 57.689 56.287 -1.341 0.000 0.931 395 K CB 0.154 32.226 32.500 -0.713 0.000 0.715 395 K HN 0.639 nan 8.250 nan 0.000 0.446 396 E N 0.114 120.146 120.200 -0.280 0.000 2.023 396 E HA -0.138 4.212 4.350 0.000 0.000 0.196 396 E C 2.045 178.566 176.600 -0.131 0.000 1.003 396 E CA 2.221 58.519 56.400 -0.171 0.000 0.809 396 E CB -0.691 28.933 29.700 -0.126 0.000 0.755 396 E HN 0.394 nan 8.360 nan 0.000 0.449 397 T N 0.918 115.450 114.554 -0.037 0.000 2.624 397 T HA -0.267 4.084 4.350 0.000 0.000 0.266 397 T C 1.385 176.205 174.700 0.200 0.000 1.050 397 T CA 1.680 63.864 62.100 0.139 0.000 1.163 397 T CB -0.626 68.374 68.868 0.219 0.000 0.861 397 T HN 0.397 nan 8.240 nan 0.000 0.443 398 W N 2.074 123.340 121.300 -0.057 0.000 2.380 398 W HA -0.093 4.568 4.660 0.000 0.000 0.317 398 W C 1.861 178.385 176.519 0.008 0.000 1.196 398 W CA 1.348 58.687 57.345 -0.010 0.000 1.307 398 W CB -0.338 29.055 29.460 -0.113 0.000 1.157 398 W HN 0.392 nan 8.180 nan 0.000 0.483 399 E N -0.242 120.012 120.200 0.090 0.000 2.455 399 E HA -0.158 4.193 4.350 0.000 0.000 0.202 399 E C 1.865 178.240 176.600 -0.375 0.000 1.045 399 E CA 1.399 57.781 56.400 -0.030 0.000 0.872 399 E CB -0.078 29.626 29.700 0.006 0.000 0.792 399 E HN 0.206 nan 8.360 nan 0.000 0.542 400 T N -0.656 113.627 114.554 -0.450 0.000 2.976 400 T HA -0.028 4.322 4.350 0.000 0.000 0.257 400 T C 0.702 174.807 174.700 -0.992 0.000 1.051 400 T CA 0.566 62.166 62.100 -0.832 0.000 1.141 400 T CB 0.130 68.256 68.868 -1.238 0.000 0.881 400 T HN 0.337 nan 8.240 nan 0.000 0.461 401 W N 0.435 121.502 121.300 -0.389 0.000 2.304 401 W HA 0.298 4.958 4.660 0.000 0.000 0.326 401 W C 1.333 177.489 176.519 -0.606 0.000 0.920 401 W CA -1.118 55.932 57.345 -0.491 0.000 1.518 401 W CB -0.381 28.913 29.460 -0.276 0.000 1.112 401 W HN 0.418 nan 8.180 nan 0.000 0.528 402 W N 1.310 122.208 121.300 -0.670 0.000 2.436 402 W HA -0.146 4.514 4.660 0.000 0.000 0.284 402 W C 1.617 177.893 176.519 -0.406 0.000 1.225 402 W CA 1.969 58.805 57.345 -0.849 0.000 1.271 402 W CB -1.523 26.761 29.460 -1.959 0.000 1.114 402 W HN -0.163 nan 8.180 nan 0.000 0.559 403 T N -1.246 112.379 114.554 -1.547 0.000 2.867 403 T HA -0.188 4.162 4.350 0.000 0.000 0.268 403 T C 1.630 176.139 174.700 -0.318 0.000 1.057 403 T CA 1.427 62.783 62.100 -1.241 0.000 1.136 403 T CB -0.646 67.191 68.868 -1.719 0.000 0.874 403 T HN 0.072 nan 8.240 nan 0.000 0.466 404 E N 0.046 119.994 120.200 -0.420 0.000 2.409 404 E HA -0.067 4.283 4.350 0.000 0.000 0.198 404 E C 0.453 176.905 176.600 -0.246 0.000 1.024 404 E CA 0.770 56.980 56.400 -0.317 0.000 0.861 404 E CB 0.022 29.446 29.700 -0.460 0.000 0.788 404 E HN 0.778 nan 8.360 nan 0.000 0.521 405 Y N -2.385 118.003 120.300 0.147 0.000 2.471 405 Y HA 0.136 4.687 4.550 0.000 0.000 0.249 405 Y C 0.671 176.727 175.900 0.261 0.000 1.116 405 Y CA -1.058 57.145 58.100 0.172 0.000 1.240 405 Y CB -0.308 38.229 38.460 0.128 0.000 1.251 405 Y HN 0.034 nan 8.280 nan 0.000 0.527 406 W N 3.463 124.913 121.300 0.250 0.000 2.193 406 W HA 0.113 4.773 4.660 0.000 0.000 0.338 406 W C -0.051 176.582 176.519 0.189 0.000 1.310 406 W CA 0.966 58.484 57.345 0.288 0.000 1.243 406 W CB 0.724 30.484 29.460 0.501 0.000 1.165 406 W HN 0.153 nan 8.180 nan 0.000 0.566 407 Q N 3.359 122.948 119.800 -0.351 0.000 2.074 407 Q HA 0.294 4.634 4.340 0.000 0.000 0.265 407 Q C -0.514 175.178 176.000 -0.512 0.000 0.855 407 Q CA -0.238 55.389 55.803 -0.293 0.000 1.083 407 Q CB 1.109 29.739 28.738 -0.180 0.000 1.260 407 Q HN 0.357 nan 8.270 nan 0.000 0.427 408 A N -0.305 122.013 122.820 -0.837 0.000 2.413 408 A HA 0.543 4.863 4.320 0.000 0.000 0.307 408 A C 0.949 178.287 177.584 -0.411 0.000 1.087 408 A CA -0.426 51.084 52.037 -0.879 0.000 0.750 408 A CB 1.021 18.911 19.000 -1.850 0.000 1.296 408 A HN 0.203 nan 8.150 nan 0.000 0.423 409 T N -1.048 113.247 114.554 -0.432 0.000 2.904 409 T HA -0.010 4.340 4.350 0.000 0.000 0.267 409 T C 0.761 175.510 174.700 0.082 0.000 1.059 409 T CA 0.940 62.978 62.100 -0.104 0.000 1.137 409 T CB -0.455 68.383 68.868 -0.050 0.000 0.879 409 T HN 0.714 nan 8.240 nan 0.000 0.467 410 W N 1.090 122.578 121.300 0.315 0.000 2.390 410 W HA 0.738 5.398 4.660 0.000 0.000 0.362 410 W C -0.836 175.991 176.519 0.513 0.000 1.206 410 W CA -1.619 55.917 57.345 0.318 0.000 1.355 410 W CB 0.529 30.139 29.460 0.251 0.000 1.278 410 W HN -0.037 nan 8.180 nan 0.000 0.653 411 I N 2.471 123.505 120.570 0.774 0.000 2.571 411 I HA 0.211 4.381 4.170 0.000 0.000 0.289 411 I C -2.089 174.174 176.117 0.243 0.000 1.115 411 I CA -2.351 59.258 61.300 0.514 0.000 1.045 411 I CB 2.238 40.253 38.000 0.026 0.000 1.238 411 I HN -0.019 nan 8.210 nan 0.000 0.424 412 P HA 0.074 nan 4.420 nan 0.000 0.274 412 P C -0.671 176.468 177.300 -0.269 0.000 1.260 412 P CA -0.210 62.905 63.100 0.025 0.000 0.793 412 P CB 1.101 32.809 31.700 0.013 0.000 1.048 413 E N 0.957 121.072 120.200 -0.143 0.000 1.993 413 E HA 0.163 4.513 4.350 0.000 0.000 0.271 413 E C -0.528 175.958 176.600 -0.191 0.000 1.008 413 E CA -0.391 55.842 56.400 -0.279 0.000 0.814 413 E CB -0.094 29.534 29.700 -0.120 0.000 1.098 413 E HN 0.314 nan 8.360 nan 0.000 0.407 414 W N 3.100 124.278 121.300 -0.202 0.000 2.166 414 W HA 0.629 5.289 4.660 0.000 0.000 0.364 414 W C -0.101 176.146 176.519 -0.454 0.000 1.344 414 W CA -1.146 56.001 57.345 -0.331 0.000 1.471 414 W CB 0.372 29.486 29.460 -0.576 0.000 1.220 414 W HN 0.305 nan 8.180 nan 0.000 0.666 415 E N 0.487 120.548 120.200 -0.233 0.000 2.363 415 E HA 0.392 4.742 4.350 0.000 0.000 0.281 415 E C -1.996 174.293 176.600 -0.519 0.000 0.953 415 E CA -0.742 55.432 56.400 -0.376 0.000 0.778 415 E CB 1.335 30.955 29.700 -0.134 0.000 1.220 415 E HN 0.285 nan 8.360 nan 0.000 0.431 416 F N 2.019 121.968 119.950 -0.003 0.000 2.399 416 F HA 0.725 5.253 4.527 0.000 0.000 0.328 416 F C 0.139 175.943 175.800 0.008 0.000 1.084 416 F CA -0.749 57.225 58.000 -0.044 0.000 1.053 416 F CB 1.823 40.792 39.000 -0.052 0.000 1.209 416 F HN 0.222 nan 8.300 nan 0.000 0.502 417 V N 2.330 122.376 119.914 0.220 0.000 3.023 417 V HA 0.458 4.579 4.120 0.000 0.000 0.294 417 V C -1.935 174.247 176.094 0.146 0.000 1.324 417 V CA -0.552 61.843 62.300 0.158 0.000 0.979 417 V CB 2.147 34.049 31.823 0.133 0.000 1.093 417 V HN 0.859 nan 8.190 nan 0.000 0.434 418 N N 3.123 121.900 118.700 0.129 0.000 2.346 418 N HA 0.751 5.491 4.740 0.000 0.000 0.289 418 N C -1.189 174.396 175.510 0.126 0.000 1.027 418 N CA 0.333 53.455 53.050 0.119 0.000 0.864 418 N CB 2.158 40.702 38.487 0.095 0.000 1.370 418 N HN 1.015 nan 8.380 nan 0.000 0.481 419 T N 0.867 115.510 114.554 0.149 0.000 3.634 419 T HA 0.282 4.632 4.350 0.000 0.000 0.319 419 T C -2.486 172.339 174.700 0.209 0.000 0.773 419 T CA -0.976 61.224 62.100 0.166 0.000 1.085 419 T CB 0.957 69.945 68.868 0.199 0.000 1.025 419 T HN 0.348 nan 8.240 nan 0.000 0.483 420 P HA 0.204 nan 4.420 nan 0.000 0.273 420 P C -2.260 175.191 177.300 0.251 0.000 1.252 420 P CA -0.839 62.358 63.100 0.163 0.000 0.809 420 P CB -0.195 31.564 31.700 0.098 0.000 1.017 421 P HA 0.138 nan 4.420 nan 0.000 0.228 421 P C 1.135 178.511 177.300 0.127 0.000 1.748 421 P CA -0.027 63.338 63.100 0.441 0.000 0.909 421 P CB -0.509 31.363 31.700 0.287 0.000 1.882 422 L N 0.054 121.265 121.223 -0.021 0.000 2.043 422 L HA -0.154 4.186 4.340 0.000 0.000 0.212 422 L C 1.989 178.738 176.870 -0.202 0.000 1.075 422 L CA 1.309 56.090 54.840 -0.099 0.000 0.752 422 L CB -0.916 41.076 42.059 -0.111 0.000 0.891 422 L HN -0.016 nan 8.230 nan 0.000 0.432 423 V N -0.479 119.128 119.914 -0.512 0.000 3.593 423 V HA -0.055 4.065 4.120 0.000 0.000 0.275 423 V C 0.555 176.510 176.094 -0.230 0.000 1.237 423 V CA 0.116 62.040 62.300 -0.627 0.000 1.194 423 V CB -1.518 29.339 31.823 -1.611 0.000 0.949 423 V HN 0.402 nan 8.190 nan 0.000 0.467 424 K N 0.643 121.017 120.400 -0.043 0.000 4.838 424 K HA -0.221 4.099 4.320 0.000 0.000 0.300 424 K C 0.214 176.896 176.600 0.137 0.000 0.861 424 K CA 0.432 56.756 56.287 0.061 0.000 0.929 424 K CB -1.395 31.114 32.500 0.015 0.000 1.772 424 K HN 0.614 nan 8.250 nan 0.000 0.422 425 L N -0.433 120.937 121.223 0.245 0.000 3.755 425 L HA -0.237 4.104 4.340 0.000 0.000 0.587 425 L C 1.690 178.628 176.870 0.114 0.000 1.235 425 L CA 0.763 55.673 54.840 0.116 0.000 0.876 425 L CB -1.252 40.825 42.059 0.031 0.000 1.431 425 L HN 0.622 nan 8.230 nan 0.000 0.840 426 W N -1.218 119.946 121.300 -0.226 0.000 2.595 426 W HA 0.005 4.665 4.660 0.000 0.000 0.257 426 W C 1.197 177.486 176.519 -0.384 0.000 1.267 426 W CA 0.441 57.560 57.345 -0.376 0.000 1.300 426 W CB -0.870 28.154 29.460 -0.727 0.000 1.120 426 W HN 0.437 nan 8.180 nan 0.000 0.618 427 Y N 0.475 120.672 120.300 -0.171 0.000 2.707 427 Y HA 0.320 4.870 4.550 0.000 0.000 0.249 427 Y C 0.741 176.580 175.900 -0.102 0.000 1.166 427 Y CA -0.533 57.480 58.100 -0.144 0.000 1.184 427 Y CB -0.041 38.254 38.460 -0.275 0.000 1.240 427 Y HN -0.110 nan 8.280 nan 0.000 0.547 428 Q N -0.163 119.660 119.800 0.037 0.000 2.433 428 Q HA 0.530 4.870 4.340 0.000 0.000 0.279 428 Q C 0.294 176.305 176.000 0.019 0.000 1.105 428 Q CA -0.640 55.175 55.803 0.020 0.000 0.815 428 Q CB 2.357 31.082 28.738 -0.021 0.000 1.403 428 Q HN 0.436 nan 8.270 nan 0.000 0.435 429 G N 0.000 108.810 108.800 0.016 0.000 5.446 429 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 429 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 429 G CA 0.000 45.109 45.100 0.015 0.000 0.502 429 G HN 0.000 nan 8.290 nan 0.000 0.925